SCHEMBL6497586

SCHEMBL6497586

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)/C(C)=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.48
PPARD Q03181 13/20 0.48
PPARG P37231 10/20 0.47
MMP1 P03956 2/20 0.46
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6497593 1.00 PPARA (0.48) PPARAPPARDPPARGMMP1RAB9A
SCHEMBL6501010 0.92 MMP1 (0.48) PPARAPPARDPPARGMMP1ALDH1A1
SCHEMBL6501017 0.92 MMP1 (0.48) PPARAPPARDPPARGMMP1ALDH1A1
SCHEMBL6503992 0.89 PPARA (0.46) PPARAPPARDPPARGMMP1POLB
SCHEMBL6503985 0.89 PPARA (0.46) PPARAPPARDPPARGMMP1POLB
SCHEMBL6503176 0.88 PPARA (0.41) PPARAPPARDPPARGMMP1
SCHEMBL6495621 0.88 PPARA (0.45) PPARAPPARDPPARGMMP1POLB
SCHEMBL6503180 0.88 PPARA (0.41) PPARAPPARDPPARGMMP1
SCHEMBL6495628 0.88 PPARA (0.45) PPARAPPARDPPARGMMP1POLB
SCHEMBL6502803 0.87 PPARA (0.46) 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