SCHEMBL6503438

SCHEMBL6503438

CCOC(=O)C(Cc1ccc(OCC)c(CNC(=O)OC(C)(C)C)c1)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
OPRK1 P41145 7/20 0.40
OPRM1 P35372 6/20 0.40
OPRD1 P41143 6/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
XBP1 P17861 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL6507710 0.93 PPARG (0.45) PPARGPPARDPPARAOPRK1
SCHEMBL6497644 0.92 ALDH1A1 (0.43) PPARGPPARDPPARAMAPTNPSR1
SCHEMBL6496923 0.92 PPARA (0.45) PPARGPPARDPPARA
SCHEMBL5549723 0.88 HDAC1 (0.39) PPARGMAPTNPSR1L3MBTL1RECQL
SCHEMBL6498144 0.86 NPY1R (0.37) PPARGPPARDPPARARECQL
SCHEMBL6496499 0.86 PPARG (0.39) PPARGPPARDPPARA
SCHEMBL4337044 0.84 MAPT (0.46) PPARGKDM4EMAPTNPSR1L3MBTL1
SCHEMBL4327276 0.83 GLS (0.44) KDM4EMAPTNPSR1L3MBTL1RECQL
SCHEMBL5549065 0.82 AAK1 (0.34) PPARGMAPTNPSR1L3MBTL1RECQL
SCHEMBL6495176 0.82 PPARD (0.40) PPARGPPARDPPARAMAPT

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