SCHEMBL6502399

SCHEMBL6502399

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.64
PPARA Q07869 13/20 0.59
PPARD Q03181 12/20 0.59
HDAC1 Q13547 1/20 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
SCHEMBL6496322 0.89 PPARA (0.72) PPARGPPARAPPARD
SCHEMBL6505564 0.85 PPARA (0.66) PPARGPPARAPPARD
SCHEMBL6496022 0.84 PPARA (0.48) PPARGPPARAPPARD
SCHEMBL6495801 0.83 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL6505358 0.83 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL6495734 0.82 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL6503394 0.82 PPARA (0.60) PPARGPPARAPPARD
SCHEMBL6502352 0.81 PPARA (0.79) PPARGPPARAPPARD
SCHEMBL6504171 0.81 PPARA (0.58) PPARGPPARAPPARD
SCHEMBL6498670 0.79 PPARD (0.61) PPARGPPARAPPARD

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