SCHEMBL6510873

SCHEMBL6510873

COC(=O)CC(C)C(=NOCc1ccc(F)cc1)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.46
PPARA Q07869 7/20 0.46
MAOB P27338 1/20 0.40
S1PR1 P21453 1/20 0.39
NR4A2 P43354 1/20 0.38
CA12 O43570 1/20 0.38
NPC1 O15118 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A4 P14672 1/20 0.36

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
SCHEMBL6507906 0.87 S1PR1 (0.43) PPARGPPARAMAOBS1PR1NR4A2
SCHEMBL6507739 0.81 GRM5 (0.42) PPARGPPARAMAOBNR4A2NPC1
SCHEMBL6505176 0.77 S1PR1 (0.43) PPARGPPARAMAOBS1PR1NPC1
SCHEMBL6507732 0.76 RAB9A (0.47) PPARGPPARAMAOBNPC1MEN1
SCHEMBL6533650 0.74 MAOB (0.42) MAOBS1PR1NPC1RAB9A
SCHEMBL6510871 0.71 PPARG (0.51) PPARGPPARAMAOBS1PR1CA12
SCHEMBL6511131 0.69 PPARG (0.59) PPARGPPARA
SCHEMBL6511136 0.69 PPARG (0.59) PPARGPPARA
SCHEMBL15560833 0.65 PPARG (0.44) PPARGPPARAMAOBNR4A2CA12
SCHEMBL6155864 0.65 KMT2A (0.48) PPARGMAOBCA12NPC1MEN1

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