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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] 49070 FLUKA

Original SMILES:
CC1CCC2C1C3C(C3(C)C)CCC2(C)O

Prepared SMILES:
CC1CCC2C1C1C(C1(C)C)CCC2(C)O

P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...SHBG6462;Homo sapiens (Human)3.777161
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyAR367;Homo sapiens (Human)3.409782
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C24306;Homo sapiens (Human)3.374263
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)3.159924
P32249G-protein coupled receptor 183 (Epstein-Barr virus-induced G-protein coupled receptor 2) ...G-protein coupled receptor 1 familyGPR1831880;Homo sapiens (Human)2.761435
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)2.739446
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORC6097;Homo sapiens (Human)2.590137
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)2.568338
P16662UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...UDP-glycosyltransferase familyUGT2B77364;Homo sapiens (Human)2.527359
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)2.4487610
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyVDR7421;Homo sapiens (Human)2.1233411
P54707Potassium-transporting ATPase alpha chain 2 (EC 7.2.2.19) (Non-gastric H(+)/K(+) ATPase ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIC subfamilyATP12A479;Homo sapiens (Human)2.0969112
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyCYP19A11588;Homo sapiens (Human)2.077113
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyTBXA2R6915;Homo sapiens (Human)1.9701314
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familySERPINA6866;Homo sapiens (Human)1.787515
O60911Cathepsin L2 (EC 3.4.22.43) (Cathepsin U) (Cathepsin V)Peptidase C1 familyCTSV1515;Homo sapiens (Human)1.7271816
Q969R2Oxysterol-binding protein 2 (Oxysterol-binding protein-related protein 4) (ORP-4) (OSBP-related protein ...OSBP familyOSBP223762;Homo sapiens (Human)1.6360117
Q13887Krueppel-like factor 5 (Basic transcription element-binding protein 2) (BTE-binding protein ...Krueppel C2H2-type zinc-finger protein familyKLF5688;Homo sapiens (Human)1.6129818
Q9UBX1Cathepsin F (CATSF) (EC 3.4.22.41)Peptidase C1 familyCTSF8722;Homo sapiens (Human)1.4697219
P02774Vitamin D-binding protein (DBP) (VDB) (Gc protein-derived macrophage activating factor) ...ALB/AFP/VDB familyGC2638;Homo sapiens (Human)1.4033320
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)1.3851821
P05771Protein kinase C beta type (PKC-B) (PKC-beta) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCB5579;Homo sapiens (Human)1.3773722
P51681C-C chemokine receptor type 5 (C-C CKR-5) (CC-CKR-5) (CCR-5) (CCR5) ...G-protein coupled receptor 1 familyCCR51234;Homo sapiens (Human)1.3761723
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyFDPS2224;Homo sapiens (Human)1.3553424
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyNFE2L24780;Homo sapiens (Human)1.3257825
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyGGPS19453;Homo sapiens (Human)1.2549326
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)1.186427
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.1298728
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyGRM52915;Homo sapiens (Human)1.1197529
Q6ZQN7Solute carrier organic anion transporter family member 4C1 (OATP-H) (Organic ...Organo anion transporter (TC 2.A.60) familySLCO4C1353189;Homo sapiens (Human)1.1091830
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.089531
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)1.0886132
Q05655Protein kinase C delta type (EC 2.7.11.13) (Tyrosine-protein kinase PRKCD) ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCD5580;Homo sapiens (Human)1.0878533
P05129Protein kinase C gamma type (PKC-gamma) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyPRKCG5582;Homo sapiens (Human)1.0341134
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)1.0137735
P05023Sodium/potassium-transporting ATPase subunit alpha-1 (Na(+)/K(+) ATPase alpha-1 subunit) (EC 7.2.2.13) ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIC subfamilyATP1A1476;Homo sapiens (Human)1.0036836
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (EC 1.1.1.42) (Cytosolic NADP-isocitrate dehydrogenase) ...Isocitrate and isopropylmalate dehydrogenases familyIDH13417;Homo sapiens (Human)0.97681137
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)0.97376538
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)0.93127139
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)0.92106840
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyNR1H49971;Homo sapiens (Human)0.91412341
P10619Lysosomal protective protein (EC 3.4.16.5) (Carboxypeptidase C) (Carboxypeptidase L) (Cathepsin ...Peptidase S10 familyCTSA5476;Homo sapiens (Human)0.90858242
P23946Chymase (EC 3.4.21.39) (Alpha-chymase) (Mast cell protease I)Peptidase S1 family, Granzyme subfamilyCMA11215;Homo sapiens (Human)0.89595543
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)0.84664444
Q13258Prostaglandin D2 receptor (PGD receptor) (PGD2 receptor) (Prostanoid DP receptor)G-protein coupled receptor 1 familyPTGDR5729;Homo sapiens (Human)0.83888945
P25774Cathepsin S (EC 3.4.22.27)Peptidase C1 familyCTSS1520;Homo sapiens (Human)0.82263146
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)0.81857447
P35398Nuclear receptor ROR-alpha (Nuclear receptor RZR-alpha) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyRORA6095;Homo sapiens (Human)0.8140448
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyOPRM14988;Homo sapiens (Human)0.81338349
Q13133Oxysterols receptor LXR-alpha (Liver X receptor alpha) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyNR1H310062;Homo sapiens (Human)0.78534750

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
195702025-11-29
12:00:36		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 50Download

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