SCHEMBL6534135

SCHEMBL6534135

CC(=NOCc1ccccc1)C(C)(Cc1ccc(OC(c2ccc(CC(C)C)cc2)c2cn[nH]c2)cc1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.33
PPARA Q07869 6/20 0.33
ACACB O00763 1/20 0.32
MAOB P27338 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
ALOX5 P09917 1/20 0.31
REN P00797 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
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
LNPEP Q9UIQ6 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
SCHEMBL6532351 0.93 ACACB (0.32) PPARGPPARAACACBMAOBCTSL
SCHEMBL6532718 0.84 PPARG (0.43) PPARGPPARA
SCHEMBL6532684 0.81 PPARG (0.38) PPARGPPARAACACBCTSLCTSK
SCHEMBL6533025 0.78 PPARG (0.40) PPARGPPARAMAOB
SCHEMBL6532609 0.78 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6533744 0.77 PPARG (0.44) PPARGPPARA
SCHEMBL6533725 0.77 PPARG (0.42) PPARGPPARA
SCHEMBL6532102 0.75 PPARG (0.39) PPARGPPARA
SCHEMBL6532377 0.75 PPARG (0.39) PPARGPPARA
SCHEMBL6534151 0.74 PPARG (0.42) PPARGPPARA

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