SCHEMBL6504374

SCHEMBL6504374

CCc1nc(C(=O)NC(C)c2cc(CC(OC(C)C)C(=O)O)ccc2OC)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
RAB9A P51151 1/20 0.36
PPARA Q07869 8/20 0.35
PPARG P37231 8/20 0.35
PPARD Q03181 5/20 0.35
LDHA P00338 1/20 0.34
MMP1 P03956 1/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL6497349 0.88 OPRK1 (0.40) OPRK1RAB9APPARAPPARGPPARD
SCHEMBL6504378 0.84 PPARD (0.40) PPARAPPARGPPARDSMN1; SMN2LMNA
SCHEMBL6505350 0.76 PPARG (0.40) OPRK1RAB9APPARAPPARGPPARD
SCHEMBL6496485 0.76 HSD17B10 (0.52) RAB9ASMN1; SMN2
SCHEMBL6505823 0.75 KMT2A (0.41) OPRK1RAB9APPARAPPARGPPARD
SCHEMBL6494362 0.73 NPY5R (0.43) OPRK1RAB9APPARG
SCHEMBL6503228 0.73 ALDH1A1 (0.47)
SCHEMBL6497351 0.73 POLB (0.43) PPARAPPARGPPARDLMNANAMPT
SCHEMBL6502018 0.72 PHGDH (0.55)
SCHEMBL6527212 0.72 PPARA (0.45) PPARAPPARGPPARD

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