SCHEMBL257642

SCHEMBL257642

CCC(COc1ccc(B(O)O)c(F)c1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
GPR88 Q9GZN0 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL12663126 0.81 MAOB (0.39) PPARGPPARAMAOB
SCHEMBL177781 0.81 MAOB (0.39) PPARGPPARAMAOB
SCHEMBL177782 0.81 MAOB (0.39) PPARGPPARAMAOB
SCHEMBL257663 0.79 MAOB (0.41) PPARGPPARAMAOB
SCHEMBL12663125 0.79 MAOB (0.41) PPARGPPARAMAOB
SCHEMBL12663131 0.79 MAOB (0.41) PPARGPPARAMAOB
SCHEMBL29825561 0.78 LIPE (0.53) MAOB
SCHEMBL1711426 0.78 LIPE (0.53) MAOB
SCHEMBL12663154 0.78 PPARG (0.48) PPARGPPARA
SCHEMBL12663157 0.76 IGLV6-57 (0.45) GPR88

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
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed