SCHEMBL6165860

SCHEMBL6165860

Cc1cc(CO)cc(C)c1OCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 1/20 0.46
PTPRB P23467 1/20 0.46
MCL1 Q07820 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CD69 Q07108 3/20 0.42
ELANE P08246 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
KMT2A Q03164 2/20 0.42
S1PR1 P21453 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NR4A1 P22736 1/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2059355 0.82 CSNK2A2 (0.49) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL15516622 0.82 MMP1 (0.45) HSD17B10ALOX15TSHRKMT2AKDM4E
SCHEMBL2058911 0.81 THRA (0.47) HSD17B10HPGDPTPRBMCL1CD69
SCHEMBL27602765 0.81 NLRP3 (0.45) HSD17B10PPARAKDM4E
SCHEMBL15517570 0.80 OGG1 (0.53) HSD17B10ALOX15TSHRKMT2AKDM4E
SCHEMBL8240454 0.79 MCL1 (0.45) HSD17B10ALOX15TSHRHPGDPTPRB
SCHEMBL11570516 0.79 KDM4E (0.55) TSHRHPGDMCL1KMT2APTGDR2
SCHEMBL3201351 0.79 KMT2A (0.55) HSD17B10ALOX15TSHRHPGDPTPRB
SCHEMBL2059557 0.79 AGBL2 (0.46) HSD17B10ALOX15TSHRHPGDPTPRB
SCHEMBL14931907 0.79 MCL1 (0.45) HSD17B10HPGDPTPRBMCL1PPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP disclosed
EP-1392674-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2004-03-03 EP disclosed
WO-2002092590-A1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-11-21 WO disclosed