SCHEMBL6505350

SCHEMBL6505350

COc1ccc(CC(OC(C)C)C(=O)O)cc1C(C)NC(=O)c1cn(C)c(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
CTSA P10619 6/20 0.39
OPRK1 P41145 1/20 0.39
NTSR1 P30989 3/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
PDE2A O00408 1/20 0.38
MMP1 P03956 1/20 0.37
RAB9A P51151 1/20 0.36
MME P08473 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
SCHEMBL6495617 0.84 MME (0.50) PPARGPPARAPPARDMMP1RAB9A
SCHEMBL6505343 0.84 POLB (0.44) PPARGPPARAPPARD
SCHEMBL6505823 0.83 KMT2A (0.41) PPARGOPRK1PPARAPPARDMMP1
SCHEMBL6497349 0.83 OPRK1 (0.40) PPARGCTSAOPRK1PPARAPPARD
SCHEMBL6496485 0.83 HSD17B10 (0.52) RAB9AMME
SCHEMBL6494362 0.81 NPY5R (0.43) PPARGCTSAOPRK1RAB9AMME
SCHEMBL6502018 0.81 PHGDH (0.55)
SCHEMBL6503168 0.80 KMT2A (0.39) PPARGOPRK1PPARAPPARDMMP1
SCHEMBL6503228 0.77 ALDH1A1 (0.47)
SCHEMBL6504374 0.76 OPRK1 (0.36) PPARGOPRK1PPARAPPARDMMP1

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