SCHEMBL793190

SCHEMBL793190

CC(C)(NC(=O)C(c1cccc(Cl)c1Cl)N(C(=O)O)C(C)(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
PNMT P11086 1/20 0.36
CXCL8 P10145 3/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
CNR1 P21554 1/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 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 0.90 CXCL8 (0.37) MEN1KMT2ACYP3A4CYP2D6NFKB1
SCHEMBL807932 0.80 CYP1A2 (0.45) MEN1KMT2AMAPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL793458 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL793786 0.79 CNR2 (0.38) MEN1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL15226570 0.78 MEN1 (0.40) MEN1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL19244878 0.74 OPRM1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL381393 0.74 NISCH (0.43) MEN1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL794263 0.72 ALDH1A1 (0.41) MEN1KMT2ACYP1A2CYP3A4PNMT
SCHEMBL807933 0.72 CTSS (0.39) MEN1KMT2AMAPK1CYP1A2CYP3A4
SCHEMBL19244855 0.72 MEN1 (0.41) MEN1KMT2AMAPK1CYP1A2CYP3A4

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
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