SCHEMBL6502631

SCHEMBL6502631

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.75
PPARD Q03181 19/20 0.75
PPARG P37231 18/20 0.75

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
SCHEMBL6504915 0.88 PPARG (0.75) PPARAPPARDPPARG
SCHEMBL6505358 0.84 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL5552713 0.83 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL6503394 0.83 PPARA (0.60) PPARAPPARDPPARG
SCHEMBL6496322 0.83 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL6505564 0.83 PPARA (0.66) PPARAPPARDPPARG
SCHEMBL6502352 0.83 PPARA (0.79) PPARAPPARDPPARG
SCHEMBL6504171 0.82 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6495734 0.80 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL5032986 0.79 PPARA (0.68) 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