SCHEMBL2763142

SCHEMBL2763142

NNCC[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.43
FPR2 P25090 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
EPHX2 P34913 1/20 0.40
GRB2 P62993 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC1 Q13547 1/20 0.39
MME P08473 1/20 0.38

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
SCHEMBL5469880 0.85 FFAR2 (0.46) FFAR2FPR2PPARGPPARAEPHX2
SCHEMBL1519730 0.85 FFAR2 (0.46) FFAR2FPR2PPARGPPARAEPHX2
SCHEMBL1742099 0.84 FFAR2 (0.43) FFAR2FPR2PPARGPPARAEPHX2
SCHEMBL12765909 0.83 PPARG (0.50) PPARGPPARA
SCHEMBL1744255 0.82 FFAR2 (0.42) FFAR2FPR2PPARGPPARAEPHX2
SCHEMBL1519784 0.81 EGFR (0.47) FFAR2FPR2PPARGPPARAEPHX2
SCHEMBL21528813 0.78 MMP2 (0.50) FFAR2PPARGPPARAEPHX2FFAR1
SCHEMBL21528815 0.78 MMP2 (0.50) FFAR2PPARGPPARAEPHX2FFAR1
SCHEMBL1742102 0.74 FFAR2 (0.40) FFAR2FFAR1
SCHEMBL1519426 0.74 PPARG (0.39) FPR2PPARGPPARAEPHX2GRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173728-A2 HETEROCYCLIC MODULATORS OF PKB Amgen Inc. (US) 2010-04-14 EP disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed