SCHEMBL5324713

SCHEMBL5324713

CC(C)(Oc1ccc(CCc2cccc(N)c2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.61
PPARG P37231 12/20 0.56
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
CYP19A1 P11511 1/20 0.51
PPARD Q03181 2/20 0.51
ADRB3 P13945 3/20 0.49

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
SCHEMBL5327150 0.85 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL27654984 0.85 PPARG (0.70) PPARAPPARGPPARD
SCHEMBL2668319 0.79 PPARA (0.54) PPARAPPARGMAOBPPARD
SCHEMBL14345585 0.79 PPARA (0.60) PPARAPPARGPPARDADRB3
SCHEMBL1009896 0.78 PPARA (0.73) PPARAPPARGPPARDADRB3
SCHEMBL5794669 0.78 PPARG (0.72) PPARAPPARGPPARD
SCHEMBL14345084 0.77 PPARA (0.52) PPARAPPARGPPARDADRB3
SCHEMBL14345202 0.77 USP2 (0.56) PPARAPPARGADRB3
SCHEMBL3845467 0.76 PPARA (1.00) PPARAPPARGPPARDADRB3
SCHEMBL11566625 0.76 PPARG (0.70) PPARAPPARGPPARDADRB3

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-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed