SCHEMBL793786

SCHEMBL793786

CC(C)(NC(=O)C(c1ccccc1C(F)(F)F)N(C(=O)O)C(C)(C)C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
ACP3 P15309 1/20 0.36
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLQ O75417 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL16715306 0.83 CXCL8 (0.37) CNR2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL807758 0.81 CNR2 (0.41) CNR2ACP3POLBMAPK1HSD11B1
SCHEMBL16715303 0.80 CYP3A4 (0.43) CNR2ACP3POLBMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL15226476 0.80 CNR2 (0.40) CNR2ACP3POLBMAPK1HSD11B1
SCHEMBL793190 0.79 MEN1 (0.39) POLBMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL15226732 0.78 CNR2 (0.42) CNR2ACP3POLBMAPK1HSD11B1
SCHEMBL16715287 0.77 HPGD (0.40) CNR2MAPK1ALDH1A1TSHRLMNA
SCHEMBL794263 0.77 ALDH1A1 (0.41) ACP3POLBALDH1A1CYP1A2CYP3A4
SCHEMBL167206 0.74 CNR2 (0.42) CNR2ACP3POLBMAPK1HSD11B1
SCHEMBL807931 0.72 POLB (0.46) CNR2POLBMAPK1LMNASMN1; SMN2

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 4 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
EP-2616448-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 WO disclosed