SCHEMBL6495863

SCHEMBL6495863

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)/C(C)=C/c1cccc(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.46
PPARD Q03181 17/20 0.46
PPARG P37231 12/20 0.45
MMP1 P03956 1/20 0.38

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
SCHEMBL6506180 0.87 MMP1 (0.44) PPARAPPARDPPARGMMP1
SCHEMBL6506175 0.87 MMP1 (0.44) PPARAPPARDPPARGMMP1
SCHEMBL6503992 0.84 PPARA (0.46) PPARAPPARDPPARGMMP1
SCHEMBL6503985 0.84 PPARA (0.46) PPARAPPARDPPARGMMP1
SCHEMBL6502803 0.84 PPARA (0.46) PPARAPPARDPPARGMMP1
SCHEMBL6502801 0.84 PPARA (0.46) PPARAPPARDPPARGMMP1
SCHEMBL6496109 0.84 PPARA (0.42) PPARAPPARDPPARGMMP1
SCHEMBL6496110 0.84 PPARA (0.42) PPARAPPARDPPARGMMP1
SCHEMBL6495628 0.84 PPARA (0.45) PPARAPPARDPPARGMMP1
SCHEMBL6495621 0.84 PPARA (0.45) PPARAPPARDPPARGMMP1

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