SCHEMBL6495642

SCHEMBL6495642

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.50
PPARD Q03181 16/20 0.50
PPARG P37231 13/20 0.49

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
SCHEMBL6496923 0.89 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL27499408 0.87 HDAC1 (0.42) PPARAPPARG
SCHEMBL5554890 0.84 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL4335123 0.84 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4337099 0.81 GLS (0.46)
SCHEMBL6654921 0.81 GLS (0.46)
SCHEMBL6503438 0.81 PPARG (0.44) PPARAPPARDPPARG
SCHEMBL6497644 0.81 ALDH1A1 (0.43) PPARAPPARDPPARG
SCHEMBL5549686 0.81 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL6495176 0.81 PPARD (0.40) PPARAPPARDPPARG

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