SCHEMBL2312669

SCHEMBL2312669

O=C(O)C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)Cc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.66
FFAR2 O15552 2/20 0.56
MME P08473 1/20 0.53
MCHR1 Q99705 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CASP1 P29466 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2320363 0.87 PIN1 (0.69) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320355 0.87 PIN1 (0.69) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2312985 0.87 FFAR2 (0.62) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2312990 0.87 FFAR2 (0.62) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2312583 0.86 FFAR2 (0.72) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2312580 0.86 FFAR2 (0.72) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320231 0.85 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2315266 0.85 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2320240 0.85 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT
SCHEMBL2314866 0.85 PIN1 (0.74) PIN1FFAR2MMEMEN1MAPT

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-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed