SCHEMBL794179

SCHEMBL794179

CC(C)(CO)NC(=O)C(c1cccc(C(F)(F)F)c1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
KLRK1 P26718 2/20 0.39
MICA Q29983 2/20 0.39
RAET1L Q5VY80 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BCHE P06276 1/20 0.39
ACP3 P15309 2/20 0.38
KCNQ2 O43526 1/20 0.38
CES2 O00748 1/20 0.38
ATM Q13315 1/20 0.38
PNMT P11086 1/20 0.38

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
SCHEMBL794263 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL794506 0.84 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL793329 0.80 TACR1 (0.41) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL16715277 0.79 PPARG (0.40) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL10129693 0.79 PNMT (0.46) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL15226465 0.78 MEN1 (0.45) ALDH1A1MEN1KMT2ACYP1A2POLB
Hydrochloric Acid SCHEMBL15226588 0.78 EPHX1 (0.46) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL15170368 0.77 ACP3 (0.47) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL381185 0.77 ACP3 (0.47) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL414657 0.76 ACP3 (0.43) ALDH1A1MEN1KMT2ACYP1A2POLB

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