SCHEMBL6503176

SCHEMBL6503176

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)/C(C)=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.41
PPARD Q03181 14/20 0.41
PPARG P37231 12/20 0.41
MMP1 P03956 2/20 0.41
LMNA P02545 1/20 0.37

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
SCHEMBL6503180 1.00 PPARA (0.41) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6501010 0.91 MMP1 (0.48) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6501017 0.91 MMP1 (0.48) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6497586 0.88 PPARA (0.48) PPARAPPARDPPARGMMP1
SCHEMBL6497593 0.88 PPARA (0.48) PPARAPPARDPPARGMMP1
SCHEMBL6495621 0.86 PPARA (0.45) PPARAPPARDPPARGMMP1
SCHEMBL6495628 0.86 PPARA (0.45) PPARAPPARDPPARGMMP1
SCHEMBL6504220 0.85 PPARA (0.44) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6504226 0.85 PPARA (0.44) PPARAPPARDPPARGMMP1LMNA
SCHEMBL6496109 0.85 PPARA (0.42) PPARAPPARDPPARGMMP1LMNA

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