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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC

Prepared SMILES:
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC

P25090N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide ...G-protein coupled receptor 1 familyFPR22358;Homo sapiens (Human)5.602041
O75388Probable G-protein coupled receptor 32G-protein coupled receptor 1 familyGPR322854;Homo sapiens (Human)5.245062
Q9Y2T6G-protein coupled receptor 55G-protein coupled receptor 1 familyGPR559290;Homo sapiens (Human)3.047113
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)2.671724
Q9NS75Cysteinyl leukotriene receptor 2 (CysLTR2) (G-protein coupled receptor GPCR21) (hGPCR21) ...G-protein coupled receptor 1 familyCYSLTR257105;Homo sapiens (Human)2.587685
Q9NPC1Leukotriene B4 receptor 2 (LTB4-R 2) (LTB4-R2) (LTB4 receptor JULF2) ...G-protein coupled receptor 1 familyLTB4R256413;Homo sapiens (Human)2.521336
P43088Prostaglandin F2-alpha receptor (PGF receptor) (PGF2-alpha receptor) (Prostanoid FP receptor)G-protein coupled receptor 1 familyPTGFR5737;Homo sapiens (Human)2.488897
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.372528
Q9UBY5Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR323566;Homo sapiens (Human)2.344889
Q07869Peroxisome proliferator-activated receptor alpha (PPAR-alpha) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARA5465;Homo sapiens (Human)2.2370910
P16233Pancreatic triacylglycerol lipase (PL) (PTL) (Pancreatic lipase) (EC 3.1.1.3)AB hydrolase superfamily, Lipase familyPNLIP5406;Homo sapiens (Human)2.1879111
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)2.0853812
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)2.0736813
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)1.8860414
Q9Y271Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 ...G-protein coupled receptor 1 familyCYSLTR110800;Homo sapiens (Human)1.830815
Q8TDS5Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor ...G-protein coupled receptor 1 familyOXER1165140;Homo sapiens (Human)1.7684716
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.7529117
Q9HBW0Lysophosphatidic acid receptor 2 (LPA receptor 2) (LPA-2) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR29170;Homo sapiens (Human)1.55618
P43115Prostaglandin E2 receptor EP3 subtype (PGE receptor EP3 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER35733;Homo sapiens (Human)1.5478419
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.4913420
Q01469Fatty acid-binding protein 5 (Epidermal-type fatty acid-binding protein) (E-FABP) (Fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP52171;Homo sapiens (Human)1.4468121
P28074Proteasome subunit beta type-5 (EC 3.4.25.1) (Macropain epsilon chain) (Multicatalytic ...Peptidase T1B familyPSMB55693;Homo sapiens (Human)1.4232622
Q92633Lysophosphatidic acid receptor 1 (LPA receptor 1) (LPA-1) (Lysophosphatidic acid ...G-protein coupled receptor 1 familyLPAR11902;Homo sapiens (Human)1.4052923
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)1.3734124
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)1.3674525
P35408Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER45734;Homo sapiens (Human)1.3588526
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.3291227
Q13822Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP 2) (EC 3.1.4.39) (Autotaxin) ...Nucleotide pyrophosphatase/phosphodiesterase familyENPP25168;Homo sapiens (Human)1.2559628
Q99677Lysophosphatidic acid receptor 4 (LPA receptor 4) (LPA-4) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR42846;Homo sapiens (Human)1.1845929
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)1.1595830
Q8NET8Transient receptor potential cation channel subfamily V member 3 (TrpV3) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV3 sub-subfamilyTRPV3162514;Homo sapiens (Human)1.1539731
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)1.1423232
Q13936Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamilyCACNA1C775;Homo sapiens (Human)1.1328633
Q9BZJ6Probable G-protein coupled receptor 63 (PSP24-2) (PSP24-beta)G-protein coupled receptor 1 familyGPR6381491;Homo sapiens (Human)1.0983834
P43116Prostaglandin E2 receptor EP2 subtype (PGE receptor EP2 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER25732;Homo sapiens (Human)1.0906535
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)1.0216336
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)1.0140537
P43681Neuronal acetylcholine receptor subunit alpha-4Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA41137;Homo sapiens (Human)1.0080838
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)0.9977639
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.99225440
Q5NUL3Free fatty acid receptor 4 (G-protein coupled receptor 120) (G-protein ...G-protein coupled receptor 1 familyFFAR4338557;Homo sapiens (Human)0.969941
Q13304Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) ...G-protein coupled receptor 1 familyGPR172840;Homo sapiens (Human)0.9434142
P43119Prostacyclin receptor (Prostaglandin I2 receptor) (PGI receptor) (PGI2 receptor) (Prostanoid ...G-protein coupled receptor 1 familyPTGIR5739;Homo sapiens (Human)0.91996943
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)0.91772344
P07858Cathepsin B (EC 3.4.22.1) (APP secretase) (APPS) (Cathepsin B1) [Cleaved ...Peptidase C1 familyCTSB1508;Homo sapiens (Human)0.90625645
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.8895946
Q03426Mevalonate kinase (MK) (EC 2.7.1.36)GHMP kinase family, Mevalonate kinase subfamilyMVK4598;Homo sapiens (Human)0.84517247
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)0.84194148
P21728D(1A) dopamine receptor (Dopamine D1 receptor)G-protein coupled receptor 1 familyDRD11812;Homo sapiens (Human)0.82854949
P23141Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ...Type-B carboxylesterase/lipase familyCES11066;Homo sapiens (Human)0.81843850
O14842Free fatty acid receptor 1 (G-protein coupled receptor 40)G-protein coupled receptor 1 familyFFAR12864;Homo sapiens (Human)0.80913451
P16050Arachidonate 15-lipoxygenase (15-LOX) (15-LOX-1) (EC 1.13.11.33) (12/15-lipoxygenase) (Arachidonate 12-lipoxygenase, leukocyte-type) ...Lipoxygenase familyALOX15246;Homo sapiens (Human)0.80843852
Q9H1C0Lysophosphatidic acid receptor 5 (LPA receptor 5) (LPA-5) (G-protein coupled ...G-protein coupled receptor 1 familyLPAR557121;Homo sapiens (Human)0.76750553
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.74955454
P34995Prostaglandin E2 receptor EP1 subtype (PGE receptor EP1 subtype) (PGE2 ...G-protein coupled receptor 1 familyPTGER15731;Homo sapiens (Human)0.74725555
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyLSS4047;Homo sapiens (Human)0.74389656
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)0.74302557
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)0.74076958
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)0.71727259
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)0.71247360
Q92769Histone deacetylase 2 (HD2) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC23066;Homo sapiens (Human)0.70758961
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)0.69656562
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)0.69081363
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)0.68959464
Q01668Voltage-dependent L-type calcium channel subunit alpha-1D (Calcium channel, L type, ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1D subfamilyCACNA1D776;Homo sapiens (Human)0.68481465
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)0.68237366
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)0.67857567
P28845Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) ...Short-chain dehydrogenases/reductases (SDR) familyHSD11B13290;Homo sapiens (Human)0.67292568
P37268Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)Phytoene/squalene synthase familyFDFT12222;Homo sapiens (Human)0.6726269
Q9BXC1Probable G-protein coupled receptor 174G-protein coupled receptor 1 familyGPR17484636;Homo sapiens (Human)0.66691870
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)0.66583671
Q99685Monoglyceride lipase (MGL) (EC 3.1.1.23) (HU-K5) (Lysophospholipase homolog) (Lysophospholipase-like) (Monoacylglycerol ...AB hydrolase superfamily, Monoacylglycerol lipase familyMGLL11343;Homo sapiens (Human)0.66467372
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)0.65534973
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.65083374
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)0.645775
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.63930276
Q16790Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA9768;Homo sapiens (Human)0.63904977
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)0.63891378
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)0.62911179
P0C869Cytosolic phospholipase A2 beta (cPLA2-beta) (EC 3.1.1.4) (Phospholipase A2 group ...PLA2G4B100137049;8681;Homo sapiens (Human)0.62867780
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)0.62770381
Q99788Chemokine-like receptor 1 (G-protein coupled receptor ChemR23) (G-protein coupled receptor ...G-protein coupled receptor 1 familyCMKLR11240;Homo sapiens (Human)0.62212582
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)0.60628383
Q03181Peroxisome proliferator-activated receptor delta (PPAR-delta) (NUCI) (Nuclear hormone receptor 1) ...Nuclear hormone receptor family, NR1 subfamilyPPARD5467;Homo sapiens (Human)0.59951384
O15379Histone deacetylase 3 (HD3) (EC 3.5.1.98) (RPD3-2) (SMAP45)Histone deacetylase family, HD type 1 subfamilyHDAC38841;Homo sapiens (Human)0.59406485
Q9UP65Cytosolic phospholipase A2 gamma (cPLA2-gamma) (EC 3.1.1.4) (Phospholipase A2 group ...PLA2G4C8605;Homo sapiens (Human)0.59167686
P12821Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) ...Peptidase M2 familyACE1636;Homo sapiens (Human)0.59054287
P17252Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCA5578;Homo sapiens (Human)0.58936488
O14649Potassium channel subfamily K member 3 (Acid-sensitive potassium channel protein ...Two pore domain potassium channel (TC 1.A.1.8) familyKCNK33777;Homo sapiens (Human)0.58481489
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)0.58385890
Q13258Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)G-protein coupled receptor 1 familyPTGDR5729;Homo sapiens (Human)0.57481691
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyGGPS19453;Homo sapiens (Human)0.5717792
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.56912593
P05413Fatty acid-binding protein, heart (Fatty acid-binding protein 3) (Heart-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP32170;Homo sapiens (Human)0.56828794
Q02156Protein kinase C epsilon type (EC 2.7.11.13) (nPKC-epsilon)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCE5581;Homo sapiens (Human)0.56713995
P37231Peroxisome proliferator-activated receptor gamma (PPAR-gamma) (Nuclear receptor subfamily 1 group ...Nuclear hormone receptor family, NR1 subfamilyPPARG5468;Homo sapiens (Human)0.56578196
Q9UBN7Histone deacetylase 6 (HD6) (EC 3.5.1.98)Histone deacetylase family, HD type 2 subfamilyHDAC610013;Homo sapiens (Human)0.56576197
Q92959Solute carrier organic anion transporter family member 2A1 (Prostaglandin transporter) ...Organo anion transporter (TC 2.A.60) familySLCO2A16578;Homo sapiens (Human)0.55418198
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)0.55232899
Q9UPC5Probable G-protein coupled receptor 34G-protein coupled receptor 1 familyGPR342857;Homo sapiens (Human)0.551331100

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
186692025-10-22
13:05:51		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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