SCHEMBL6501017

SCHEMBL6501017

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)C(C)=Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
PPARA Q07869 15/20 0.47
PPARD Q03181 12/20 0.47
PPARG P37231 9/20 0.47
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL6501010 1.00 MMP1 (0.48) MMP1PPARAPPARDPPARGLMNA
SCHEMBL6497593 0.92 PPARA (0.48) MMP1PPARAPPARDPPARGALDH1A1
SCHEMBL6497586 0.92 PPARA (0.48) MMP1PPARAPPARDPPARGALDH1A1
SCHEMBL6503176 0.91 PPARA (0.41) MMP1PPARAPPARDPPARGLMNA
SCHEMBL6503180 0.91 PPARA (0.41) MMP1PPARAPPARDPPARGLMNA
SCHEMBL6504226 0.89 PPARA (0.44) MMP1PPARAPPARDPPARGLMNA
SCHEMBL6504220 0.89 PPARA (0.44) MMP1PPARAPPARDPPARGLMNA
SCHEMBL6495628 0.86 PPARA (0.45) MMP1PPARAPPARDPPARGMAPT
SCHEMBL6495621 0.86 PPARA (0.45) MMP1PPARAPPARDPPARGMAPT
SCHEMBL6496109 0.84 PPARA (0.42) MMP1PPARAPPARDPPARGLMNA

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