SCHEMBL6498144

SCHEMBL6498144

CCOC(=O)C(Cc1ccc(OC2CCCC2)c(CNC(=O)OC(C)(C)C)c1)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
PPARG P37231 4/20 0.37
EPHX2 P34913 3/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PDE4B Q07343 6/20 0.36
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
CACNA1B Q00975 4/20 0.35
RECQL P46063 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL6497644 0.86 ALDH1A1 (0.43) PPARGEPHX2PPARDPPARARECQL
SCHEMBL6496923 0.86 PPARA (0.45) PPARGPPARDPPARA
SCHEMBL6503438 0.86 PPARG (0.44) PPARGPPARDPPARARECQL
SCHEMBL6507710 0.84 PPARG (0.45) PPARGPPARDPPARA
SCHEMBL5549723 0.82 HDAC1 (0.39) PPARGEPHX2RECQL
SCHEMBL6496499 0.81 PPARG (0.39) PPARGEPHX2PPARDPPARA
SCHEMBL4337044 0.79 MAPT (0.46) PPARGEPHX2RECQL
SCHEMBL4327276 0.77 GLS (0.44) RECQL
SCHEMBL5549065 0.77 AAK1 (0.34) PPARGEPHX2RECQL
SCHEMBL6495176 0.77 PPARD (0.40) 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