SCHEMBL16715294

SCHEMBL16715294

COCCNC(=O)C[C@@H](c1ccccc1C(F)(F)F)N(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.49
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL16715321 0.88 CNR2 (0.41) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2
SCHEMBL16715287 0.83 HPGD (0.40) HPGDALDH1A1CNR2SMN1; SMN2CNR1
SCHEMBL807934 0.81 HPGD (0.56) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL15226571 0.80 HPGD (0.54) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2
SCHEMBL16715268 0.80 HPGD (0.50) HPGDALDH1A1SMN1; SMN2
SCHEMBL15226913 0.78 HPGD (0.53) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2
SCHEMBL382428 0.77 ACP3 (0.43) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2
SCHEMBL167206 0.76 CNR2 (0.42) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2
SCHEMBL10129808 0.75 AVPR2 (0.49) HPGDALDH1A1CNR2SMN1; SMN2CNR1
SCHEMBL380984 0.75 CNR2 (0.41) HPGDALDH1A1CNR2SMN1; SMN2CYP1A2

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-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed