SCHEMBL6494362

SCHEMBL6494362

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
MME P08473 1/20 0.38
CYP3A4 P08684 1/20 0.38
CTSA P10619 1/20 0.38
OPRK1 P41145 1/20 0.38
RIPK1 Q13546 5/20 0.37
APLNR P35414 2/20 0.37
PTGS2 P35354 2/20 0.37
DHODH Q02127 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.37
PTGER1 P34995 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
SCHEMBL6503228 0.86 ALDH1A1 (0.47)
SCHEMBL6494358 0.83 MAPT (0.43) NPY5R
SCHEMBL6495617 0.83 MME (0.50) MMEAPLNRRAB9APPARG
SCHEMBL6505350 0.81 PPARG (0.40) MMECTSAOPRK1RAB9APPARG
SCHEMBL6496485 0.80 HSD17B10 (0.52) MMERAB9A
SCHEMBL6502018 0.78 PHGDH (0.55)
SCHEMBL6505823 0.77 KMT2A (0.41) OPRK1RAB9APPARG
SCHEMBL6497349 0.77 OPRK1 (0.40) CTSAOPRK1RAB9APPARG
SCHEMBL6503168 0.76 KMT2A (0.39) OPRK1RAB9APPARG
SCHEMBL6504374 0.73 OPRK1 (0.36) OPRK1RAB9APPARG

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