Levacetylleucine

Levacetylleucine

SCHEMBL15212381

CC(=O)N[C@@H](CC(C)C)C(=O)O.CCOc1cc(NCCS(C)(=O)=O)ccc1OC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDE4B Q07343 5/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR2B P41595 1/20 0.40
LMNA P02545 2/20 0.39
PTPN1 P18031 1/20 0.39
FOLH1 Q04609 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
FPR2 P25090 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
SCHEMBL906028 0.82 PTPN1 (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
Levacetylleucine SCHEMBL21229236 0.80 LMNA (0.45) ATMPDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL756572 0.80 LMNA (0.45) ATMPDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL302605 0.80 LMNA (0.45) ATMPDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL7084218 0.80 LMNA (0.45) ATMPDE4BPDE4APDE4CPDE4D
Acetylleucine SCHEMBL20474775 0.80 LMNA (0.45) ATMPDE4BPDE4APDE4CPDE4D
Levacetylleucine SCHEMBL18263873 0.79 LMNA (0.47) ATMKMT2AMEN1PDE4BPDE4A
Levacetylleucine SCHEMBL7085506 0.79 LMNA (0.47) ATMKMT2AMEN1PDE4BPDE4A
Levacetylleucine SCHEMBL906113 0.79 LMNA (0.47) ATMKMT2AMEN1PDE4BPDE4A
Levacetylleucine SCHEMBL702915 0.74 PDE4B (0.43) ATMPDE4BPDE4APDE4CPDE4D

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-2817288-A2 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE Celgene Corporation (US) 2014-12-31 EP disclosed
WO-2013126360-A2 PROCESSES FOR THE PREPARATION OF (S)-1-(3-ETHOXY-4METHOXYPHENYL)-2-METHANESULFONYLETHYLAMINE CELGENE CORPORATION (US) 2013-08-29 WO disclosed