SCHEMBL6531718

SCHEMBL6531718

COC(=O)C(Cc1ccc(OC(c2ccc(C(C)C)cc2)c2cn[nH]c2OC)cc1)C(C)=NOCc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.39
PPARA Q07869 13/20 0.39
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.32
ACACB O00763 1/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL6532383 0.81 PPARG (0.40) PPARGPPARAACACBMMP1MMP2
SCHEMBL6532874 0.81 PPARG (0.40) PPARGPPARAACACBNOS2MMP1
SCHEMBL6532486 0.80 PPARG (0.40) PPARGPPARA
SCHEMBL6533291 0.77 PPARA (0.38) PPARGPPARA
SCHEMBL6534136 0.76 PPARA (0.39) PPARGPPARA
SCHEMBL6533257 0.75 ROCK2 (0.34) PPARGPPARA
SCHEMBL6533886 0.75 PPARG (0.36) PPARGPPARAACACB
SCHEMBL6532684 0.74 PPARG (0.38) PPARGPPARAACACB
SCHEMBL6532609 0.74 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6531716 0.74 PPARG (0.41) PPARGPPARAFFAR1NPBWR1MCHR1

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