SCHEMBL6502910

SCHEMBL6502910

COc1ccc(CCCC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.45
PPARD Q03181 12/20 0.45
PPARG P37231 8/20 0.45
DNMT3A Q9Y6K1 1/20 0.41

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
SCHEMBL6060873 0.90 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6060870 0.90 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6496475 0.85 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL6504240 0.83 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL6494267 0.83 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL5554903 0.82 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6503847 0.82 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL6494274 0.82 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6496012 0.81 PPARA (0.57) PPARAPPARDPPARG
SCHEMBL6498853 0.81 PPARA (0.47) 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