SCHEMBL6495617

SCHEMBL6495617

COc1ccc(CC(OC(C)C)C(=O)O)cc1C(C)NC(=O)c1cc(-c2ccccc2)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.50
PPARG P37231 9/20 0.46
PHGDH O43175 3/20 0.46
PPARA Q07869 5/20 0.42
PPARD Q03181 3/20 0.42
GRM5 P41594 1/20 0.39
MMP1 P03956 1/20 0.38
APLNR P35414 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL6502018 0.85 PHGDH (0.55) PHGDH
SCHEMBL6505350 0.84 PPARG (0.40) MMEPPARGPPARAPPARDMMP1
SCHEMBL6503168 0.84 KMT2A (0.39) PPARGPPARAPPARDMMP1RAB9A
SCHEMBL6496485 0.83 HSD17B10 (0.52) MMERAB9A
SCHEMBL6495611 0.83 PPARG (0.49) MMEPPARGPPARAPPARD
SCHEMBL6494362 0.83 NPY5R (0.43) MMEPPARGAPLNRRAB9A
SCHEMBL6505823 0.81 KMT2A (0.41) PPARGPHGDHPPARAPPARDMMP1
SCHEMBL6497349 0.79 OPRK1 (0.40) PPARGPPARAPPARDMMP1RAB9A
SCHEMBL6503228 0.78 ALDH1A1 (0.47)
SCHEMBL6495801 0.75 PPARA (0.47) 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