SCHEMBL6497349

SCHEMBL6497349

COc1ccc(CC(OC(C)C)C(=O)O)cc1C(C)NC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 3/20 0.39
MMP1 P03956 2/20 0.38
PARP1 P09874 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK1 Q13464 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSA P10619 1/20 0.36

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
SCHEMBL6504374 0.88 OPRK1 (0.36) OPRK1PPARGPPARAPPARDMMP1
SCHEMBL6505350 0.83 PPARG (0.40) OPRK1PPARGPPARAPPARDMMP1
SCHEMBL6497351 0.83 POLB (0.43) PPARGPPARAPPARD
SCHEMBL6496485 0.82 HSD17B10 (0.52) RAB9A
SCHEMBL6505823 0.81 KMT2A (0.41) OPRK1PPARGPPARAPPARDMMP1
SCHEMBL6502624 0.80 PPARG (0.46) OPRK1PPARGPPARAPPARD
SCHEMBL5549055 0.79 PPARA (0.43) PPARGPPARAPPARDPARP1
SCHEMBL6504835 0.79 PPARG (0.43) PPARGPPARAPPARDPARP1
SCHEMBL5552676 0.79 PPARA (0.42) PPARGPPARAPPARDPARP1RAB9A
SCHEMBL6504833 0.79 PPARG (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