SCHEMBL1903265

SCHEMBL1903265

C[C@H]([C@H](C(=O)Nc1cc(CC(C(=O)O)C(C)(C)C)ccc1C#N)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 6/20 0.34
CNR2 P34972 4/20 0.34
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
S1PR3 Q99500 1/20 0.34
F11 P03951 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6901571 0.90 ALDH1A1 (0.38) FFAR2ALDH1A1MEN1LMNAHTT
SCHEMBL1932231 0.88 FFAR2 (0.38) FFAR2
SCHEMBL1903337 0.88 L3MBTL1 (0.43) FFAR2MEN1LMNAKMT2A
SCHEMBL1932705 0.85 CNR1 (0.40) FFAR2ALDH1A1MEN1LMNAHTT
SCHEMBL6902839 0.84 ALDH1A1 (0.35) FFAR2ALDH1A1MEN1LMNAHTT
SCHEMBL1932244 0.82 L3MBTL1 (0.36) FFAR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL1932519 0.81 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL1903267 0.81 MEN1 (0.35) FFAR2ALDH1A1MEN1LMNAHTT
SCHEMBL1931871 0.81 GAA (0.33) FFAR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL1932028 0.79 SMN1; SMN2 (0.34) FFAR2ALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493845-B1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER IP GMBH (DE) 2013-12-25 EP disclosed
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 EP disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed