SCHEMBL6505315

SCHEMBL6505315

CCCOc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.46
PPARD Q03181 9/20 0.46
PPARA Q07869 9/20 0.46

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
SCHEMBL6502930 0.94 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL6503457 0.92 PDE4A (0.42) PPARGPPARDPPARA
SCHEMBL6506584 0.91 PPARA (0.46) PPARGPPARDPPARA
SCHEMBL6503062 0.91 PDE4A (0.40) PPARGPPARDPPARA
SCHEMBL6504955 0.91 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL6496320 0.88 PDE4A (0.42) PPARGPPARDPPARA
SCHEMBL6505293 0.86 PPARG (0.51) PPARGPPARDPPARA
SCHEMBL6498076 0.86 PPARA (0.47) PPARGPPARDPPARA
SCHEMBL6507629 0.86 PPARA (0.49) PPARGPPARDPPARA
SCHEMBL6502816 0.86 PPARG (0.46) 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