SCHEMBL6502624

SCHEMBL6502624

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.46
PPARA Q07869 6/20 0.44
PPARD Q03181 6/20 0.44
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL6504631 0.94 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL6497310 0.94 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6495540 0.93 THRB (0.43) PPARGPPARAPPARD
SCHEMBL6504835 0.92 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6505578 0.91 PPARG (0.41) PPARGPPARAPPARDOPRM1OPRD1
SCHEMBL6503260 0.90 PPARG (0.47) PPARGPPARAPPARDOPRM1OPRD1
SCHEMBL6496860 0.88 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL6496051 0.87 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL6495781 0.86 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6498650 0.86 EPHX2 (0.40) PPARGPPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed