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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O

Prepared SMILES:
OC(=O)C(c1ccc(s1)C(=O)c1ccccc1)C

P51878Caspase-5 (CASP-5) (EC 3.4.22.58) (ICE(rel)-III) (Protease ICH-3) (Protease TY) [Cleaved ...Peptidase C14A familyCASP5838;Homo sapiens (Human)3.63926Known
P29466Caspase-1 (CASP-1) (EC 3.4.22.36) (Interleukin-1 beta convertase) (IL-1BC) (Interleukin-1 beta-converting ...Peptidase C14A familyCASP1834;Homo sapiens (Human)3.61006Known
P55211Caspase-9 (CASP-9) (EC 3.4.22.62) (Apoptotic protease Mch-6) (Apoptotic protease-activating factor ...Peptidase C14A familyCASP9842;Homo sapiens (Human)3.56276Known
P42574Caspase-3 (CASP-3) (EC 3.4.22.56) (Apopain) (Cysteine protease CPP32) (CPP-32) (Protein ...Peptidase C14A familyCASP3836;Homo sapiens (Human)3.46212Known
P49662Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ...Peptidase C14A familyCASP4837;Homo sapiens (Human)3.43246Known
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP22169;Homo sapiens (Human)2.824981
Q92851Caspase-10 (CASP-10) (EC 3.4.22.63) (Apoptotic protease Mch-4) (FAS-associated death domain ...Peptidase C14A familyCASP10843;Homo sapiens (Human)2.752032
P83916Chromobox protein homolog 1 (HP1Hsbeta) (Heterochromatin protein 1 homolog beta) ...CBX110951;Homo sapiens (Human)2.585363
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)2.445414
O75907Diacylglycerol O-acyltransferase 1 (EC 2.3.1.20) (ACAT-related gene product 1) (Acyl-CoA ...Membrane-bound acyltransferase family, Sterol o-acyltransferase subfamilyDGAT18694;Homo sapiens (Human)2.142395
P55210Caspase-7 (CASP-7) (EC 3.4.22.60) (Apoptotic protease Mch-3) (CMH-1) (ICE-like apoptotic ...Peptidase C14A familyCASP7840;Homo sapiens (Human)2.085116
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)1.925547
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.916188
P01584Interleukin-1 beta (IL-1 beta) (Catabolin)IL-1 familyIL1B3553;Homo sapiens (Human)1.608599
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.6024610
P55212Caspase-6 (CASP-6) (EC 3.4.22.59) (Apoptotic protease Mch-2) [Cleaved into: Caspase-6 ...Peptidase C14A familyCASP6839;Homo sapiens (Human)1.5548811
Q14790Caspase-8 (CASP-8) (EC 3.4.22.61) (Apoptotic cysteine protease) (Apoptotic protease Mch-5) ...Peptidase C14A familyCASP8841;Homo sapiens (Human)1.4962312
P10144Granzyme B (EC 3.4.21.79) (C11) (CTLA-1) (Cathepsin G-like 1) (CTSGL1) ...Peptidase S1 family, Granzyme subfamilyGZMB3002;Homo sapiens (Human)1.4890713
P30307M-phase inducer phosphatase 3 (EC 3.1.3.48) (Dual specificity phosphatase Cdc25C)MPI phosphatase familyCDC25C995;Homo sapiens (Human)1.4737314
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)1.3058815
P10145Interleukin-8 (IL-8) (C-X-C motif chemokine 8) (Chemokine (C-X-C motif) ligand ...Intercrine alpha (chemokine CxC) familyCXCL83576;Homo sapiens (Human)1.0820816
P08311Cathepsin G (CG) (EC 3.4.21.20)Peptidase S1 familyCTSG1511;Homo sapiens (Human)1.0809817
P42330Aldo-keto reductase family 1 member C3 (EC 1.-.-.-) (17-beta-hydroxysteroid dehydrogenase ...Aldo/keto reductase familyAKR1C38644;Homo sapiens (Human)1.0614918
P312133-oxo-5-alpha-steroid 4-dehydrogenase 2 (EC 1.3.1.22) (5 alpha-SR2) (SR type 2) ...Steroid 5-alpha reductase familySRD5A26716;Homo sapiens (Human)1.0482719
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)1.0298520
Q16873Leukotriene C4 synthase (LTC4 synthase) (EC 4.4.1.20) (Leukotriene-C(4) synthase)MAPEG familyLTC4S4056;Homo sapiens (Human)1.0037921
P00915Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA1759;Homo sapiens (Human)0.99052322
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)0.85391723
P42575Caspase-2 (CASP-2) (EC 3.4.22.55) (Neural precursor cell expressed developmentally down-regulated ...Peptidase C14A familyCASP2835;Homo sapiens (Human)0.81217724
O15118NPC intracellular cholesterol transporter 1 (Niemann-Pick C1 protein)Patched familyNPC14864;Homo sapiens (Human)0.79658225
O95551Tyrosyl-DNA phosphodiesterase 2 (Tyr-DNA phosphodiesterase 2) (hTDP2) (EC 3.1.4.-) (5'-tyrosyl-DNA ...CCR4/nocturin familyTDP251567;Homo sapiens (Human)0.78950926
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)0.74548627
Q13490Baculoviral IAP repeat-containing protein 2 (EC 2.3.2.27) (Cellular inhibitor of ...IAP familyBIRC2329;Homo sapiens (Human)0.74273428
Q04206Transcription factor p65 (Nuclear factor NF-kappa-B p65 subunit) (Nuclear factor ...RELA5970;Homo sapiens (Human)0.74034929
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.73721630
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyRAB9A9367;Homo sapiens (Human)0.68751131
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.66560132
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familySMN1; SMN26606;6607;Homo sapiens (Human)0.66250233
P48147Prolyl endopeptidase (PE) (EC 3.4.21.26) (Post-proline cleaving enzyme)Peptidase S9A familyPREP5550;Homo sapiens (Human)0.5853834
P60953Cell division control protein 42 homolog (G25K GTP-binding protein)Small GTPase superfamily, Rho family, CDC42 subfamilyCDC42998;Homo sapiens (Human)0.5763935
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyGLP1R2740;Homo sapiens (Human)0.57536
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)0.57013837
Q9GZR1Sentrin-specific protease 6 (EC 3.4.22.-) (SUMO-1-specific protease 1) (Sentrin/SUMO-specific protease ...Peptidase C48 familySENP626054;Homo sapiens (Human)0.54425938
P21980Protein-glutamine gamma-glutamyltransferase 2 (EC 2.3.2.13) (Tissue transglutaminase) (Transglutaminase C) (TG(C)) ...Transglutaminase superfamily, Transglutaminase familyTGM27052;Homo sapiens (Human)0.54155139
P51570Galactokinase (EC 2.7.1.6) (Galactose kinase)GHMP kinase family, GalK subfamilyGALK12584;Homo sapiens (Human)0.53921340
Q96IY4Carboxypeptidase B2 (EC 3.4.17.20) (Carboxypeptidase U) (CPU) (Plasma carboxypeptidase B) ...Peptidase M14 familyCPB21361;Homo sapiens (Human)0.52538641
Q4U2R8Solute carrier family 22 member 6 (Organic anion transporter 1) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...SLC22A69356;Homo sapiens (Human)0.50683942
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)0.49738843
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.48844344
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)0.48188745
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyTP537157;Homo sapiens (Human)0.47515746
P04406Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) (EC 1.2.1.12) (Peptidyl-cysteine S-nitrosylase GAPDH) (EC 2.6.99.-)Glyceraldehyde-3-phosphate dehydrogenase familyGAPDH2597;Homo sapiens (Human)0.47493347
P42858Huntingtin (Huntington disease protein) (HD protein)Huntingtin familyHTT3064;Homo sapiens (Human)0.46413848
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)0.45243149
P36888Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) (FL cytokine receptor) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT32322;Homo sapiens (Human)0.44383650
P27695DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-) (EC 4.2.99.18) (APEX ...DNA repair enzymes AP/ExoA familyAPEX1328;Homo sapiens (Human)0.44072751
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyEHMT210919;Homo sapiens (Human)0.42771352
Q8TCT1Phosphoethanolamine/phosphocholine phosphatase (EC 3.1.3.75)HAD-like hydrolase superfamily, PHOSPHO familyPHOSPHO1162466;Homo sapiens (Human)0.42642553
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)0.40833754
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.40740555
P09917Arachidonate 5-lipoxygenase (5-LO) (5-lipoxygenase) (EC 1.13.11.34)Lipoxygenase familyALOX5240;Homo sapiens (Human)0.39799456
Q9NQR1N-lysine methyltransferase KMT5A (EC 2.1.1.-) (H4-K20-HMTase KMT5A) (Histone-lysine N-methyltransferase KMT5A) ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, PR/SET subfamilyKMT5A387893;Homo sapiens (Human)0.39372557
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyCYP11B11584;Homo sapiens (Human)0.38649158
P48729Casein kinase I isoform alpha (CKI-alpha) (EC 2.7.11.1) (CK1)Protein kinase superfamily, CK1 Ser/Thr protein kinase family, Casein kinase ...CSNK1A11452;Homo sapiens (Human)0.38554759
P32239Gastrin/cholecystokinin type B receptor (CCK-B receptor) (CCK-BR) (Cholecystokinin-2 receptor) (CCK2-R)G-protein coupled receptor 1 familyCCKBR887;Homo sapiens (Human)0.38372860
Q9BQF6Sentrin-specific protease 7 (EC 3.4.22.-) (SUMO-1-specific protease 2) (Sentrin/SUMO-specific protease ...Peptidase C48 familySENP757337;Homo sapiens (Human)0.37934961
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.37514262
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.37126263
P98170E3 ubiquitin-protein ligase XIAP (EC 2.3.2.27) (Baculoviral IAP repeat-containing protein ...IAP familyXIAP331;Homo sapiens (Human)0.36913464
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyFOLH12346;Homo sapiens (Human)0.36645265
Q9H3R0Lysine-specific demethylase 4C (EC 1.14.11.-) (Gene amplified in squamous cell ...JHDM3 histone demethylase familyKDM4C23081;Homo sapiens (Human)0.36606566
Q9UGL1Lysine-specific demethylase 5B (EC 1.14.11.-) (Cancer/testis antigen 31) (CT31) (Histone ...JARID1 histone demethylase familyKDM5B10765;Homo sapiens (Human)0.34880767
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)0.34866368
P09960Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase)Peptidase M1 familyLTA4H4048;Homo sapiens (Human)0.34376669
P15169Carboxypeptidase N catalytic chain (CPN) (EC 3.4.17.3) (Anaphylatoxin inactivator) (Arginine ...Peptidase M14 familyCPN11369;Homo sapiens (Human)0.34277770
Q93009Ubiquitin carboxyl-terminal hydrolase 7 (EC 3.4.19.12) (Deubiquitinating enzyme 7) (Herpesvirus-associated ...Peptidase C19 familyUSP77874;Homo sapiens (Human)0.34100471
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.33389872
P00374Dihydrofolate reductase (EC 1.5.1.3)Dihydrofolate reductase familyDHFR1719;Homo sapiens (Human)0.33270973
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familySMAD34088;Homo sapiens (Human)0.32642374
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)0.32234475
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)0.32192776
Q9NR56Muscleblind-like protein 1 (Triplet-expansion RNA-binding protein)Muscleblind familyMBNL14154;Homo sapiens (Human)0.30700877
Q997143-hydroxyacyl-CoA dehydrogenase type-2 (EC 1.1.1.35) (17-beta-hydroxysteroid dehydrogenase 10) (17-beta-HSD 10) ...Short-chain dehydrogenases/reductases (SDR) familyHSD17B103028;Homo sapiens (Human)0.3044178
Q96LD8Sentrin-specific protease 8 (EC 3.4.22.-) (Deneddylase-1) (NEDD8-specific protease 1) (Protease, ...Peptidase C48 familySENP8123228;Homo sapiens (Human)0.30425779
P48067Sodium- and chloride-dependent glycine transporter 1 (GlyT-1) (GlyT1) (Solute carrier ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A9 subfamilySLC6A96536;Homo sapiens (Human)0.30091880
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)0.29918581
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)0.29736482
P41229Lysine-specific demethylase 5C (EC 1.14.11.-) (Histone demethylase JARID1C) (Jumonji/ARID domain-containing ...JARID1 histone demethylase familyKDM5C8242;Homo sapiens (Human)0.29561783
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.29301284
P40225Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and ...EPO/TPO familyTHPO7066;Homo sapiens (Human)0.29227885
Q9Y5Y4Prostaglandin D2 receptor 2 (Chemoattractant receptor-homologous molecule expressed on Th2 ...G-protein coupled receptor 1 familyPTGDR211251;Homo sapiens (Human)0.28846786
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.27739387
Q9UDY8Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-) (MALT ...Peptidase C14B familyMALT110892;Homo sapiens (Human)0.27715588
P32238Cholecystokinin receptor type A (CCK-A receptor) (CCK-AR) (Cholecystokinin-1 receptor) (CCK1-R)G-protein coupled receptor 1 familyCCKAR886;Homo sapiens (Human)0.27463389
O75496GemininGeminin familyGMNN51053;Homo sapiens (Human)0.27299790
P08238Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...Heat shock protein 90 familyHSP90AB13326;Homo sapiens (Human)0.27235791
P48730Casein kinase I isoform delta (CKI-delta) (CKId) (EC 2.7.11.1) (Tau-protein ...Protein kinase superfamily, CK1 Ser/Thr protein kinase family, Casein kinase ...CSNK1D1453;Homo sapiens (Human)0.2708992
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.2700593
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Steroid sulfatase) (Steryl-sulfate sulfohydrolase)Sulfatase familySTS412;Homo sapiens (Human)0.26837494
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)0.26576595
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)0.26417696
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.26251297
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)0.25918998
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.25471799
P24557Thromboxane-A synthase (TXA synthase) (TXS) (EC 5.3.99.5) (Cytochrome P450 5A1)Cytochrome P450 familyTBXAS16916;Homo sapiens (Human)0.253801100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
203072026-01-20
22:14:43		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 100Download

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