SCHEMBL6532383

SCHEMBL6532383

COC(=O)C(Cc1ccc(OC(c2ccc(CC(C)C)cc2)c2cn[nH]c2)cc1)C(C)=NOCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.40
PPARA Q07869 11/20 0.40
ACACB O00763 3/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL6532874 0.93 PPARG (0.40) PPARGPPARAACACBROCK2ROCK1
SCHEMBL6532684 0.93 PPARG (0.38) PPARGPPARAACACBROCK2ROCK1
SCHEMBL6532609 0.93 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6533257 0.92 ROCK2 (0.34) PPARGPPARAROCK2
SCHEMBL6534035 0.92 ACACB (0.38) PPARGPPARAACACBROCK2ROCK1
SCHEMBL6532243 0.91 MME (0.36) PPARGPPARAROCK2ROCK1MMP1
SCHEMBL6533886 0.89 PPARG (0.36) PPARGPPARAACACBROCK1
SCHEMBL6532334 0.88 PPARG (0.35) PPARGPPARAACACB
SCHEMBL6532514 0.87 CXCR1 (0.34) PPARGPPARAACACB
SCHEMBL6532377 0.86 PPARG (0.39) PPARGPPARAROCK2ROCK1

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 disclosed