SCHEMBL6507710

SCHEMBL6507710

CCCOc1ccc(CC(OC(C)C)C(=O)OCC)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.45
PPARD Q03181 6/20 0.45
PPARA Q07869 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
OPRK1 P41145 1/20 0.40

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
SCHEMBL6503438 0.93 PPARG (0.44) PPARGPPARDPPARAOPRK1
SCHEMBL6496923 0.90 PPARA (0.45) PPARGPPARDPPARA
SCHEMBL6497644 0.90 ALDH1A1 (0.43) PPARGPPARDPPARA
SCHEMBL5549723 0.85 HDAC1 (0.39) PPARGSMN1; SMN2
SCHEMBL6496499 0.84 PPARG (0.39) PPARGPPARDPPARA
SCHEMBL6498144 0.84 NPY1R (0.37) PPARGPPARDPPARA
SCHEMBL4337044 0.82 MAPT (0.46) PPARG
SCHEMBL4327276 0.80 GLS (0.44) SMN1; SMN2
SCHEMBL5549065 0.80 AAK1 (0.34) PPARG
SCHEMBL6495176 0.80 PPARD (0.40) PPARGPPARDPPARA

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