SCHEMBL382057

SCHEMBL382057

CC(C)(C)N(C(=O)O)[C@@H](CO)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2B6 P20813 1/20 0.39
OPRM1 P35372 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
OPRL1 P41146 1/20 0.37
RIPK1 Q13546 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
AOC3 Q16853 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL16504760 0.90 MEN1 (0.41) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL17686018 0.89 MEN1 (0.40) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL14691106 0.88 MEN1 (0.39) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL21848090 0.88 TRPM8 (0.39) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL15229301 0.86 OPRK1 (0.41) OPRM1OPRK1SLC6A3LMNATSHR
SCHEMBL21848053 0.85 CTSB (0.39) ACP3MEN1KMT2AALDH1A1HPGD
SCHEMBL19305426 0.85 RIPK1 (0.42) MEN1KMT2AALDH1A1TRPM8RIPK1
SCHEMBL531655 0.85 RIPK1 (0.42) MEN1KMT2AALDH1A1TRPM8RIPK1
SCHEMBL19305428 0.85 RIPK1 (0.42) MEN1KMT2AALDH1A1TRPM8RIPK1
SCHEMBL15169777 0.84 OPRL1 (0.43) MEN1KMT2AOPRM1OPRL1

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-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed