SCHEMBL6532543

SCHEMBL6532543

CC(=NOCc1ccc(F)cc1)C(Cc1ccc(OC(c2ccccc2)c2cc(C)[nH]n2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.52
PPARA Q07869 17/20 0.52
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
GPR34 Q9UPC5 2/20 0.39

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
SCHEMBL6534060 0.85 PPARG (0.44) PPARGPPARA
SCHEMBL6532153 0.85 PPARG (0.45) PPARGPPARA
SCHEMBL6532444 0.82 PPARG (0.52) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6533957 0.79 PPARG (0.45) PPARGPPARA
SCHEMBL6533291 0.79 PPARA (0.38) PPARGPPARAGPR34
SCHEMBL6534136 0.78 PPARA (0.39) PPARGPPARA
SCHEMBL6532809 0.77 PPARG (0.49) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6504733 0.77 PPARG (0.51) PPARGPPARA
SCHEMBL6534118 0.76 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6532609 0.76 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO claimed