SCHEMBL8529057

SCHEMBL8529057

CC(C)(C)OC(=O)N([C@H](CCCNC(=N)N)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31

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
SCHEMBL12989005 1.00 MEN1 (0.41) MEN1GAAKMT2ANOS3NOS1
SCHEMBL2301202 1.00 MEN1 (0.41) MEN1GAAKMT2ANOS3NOS1
SCHEMBL7280716 1.00 MEN1 (0.41) MEN1GAAKMT2ANOS3NOS1
SCHEMBL27912989 0.88 MEN1 (0.35) MEN1GAAKMT2ACA14MAOA
SCHEMBL8750552 0.84 MEN1 (0.36) MEN1GAAKMT2ACA14MAOA
SCHEMBL4961940 0.83 MEN1 (0.35) MEN1GAAKMT2ACA14MAOA
SCHEMBL7079195 0.83 MEN1 (0.35) MEN1GAAKMT2ACA14MAOA
SCHEMBL8740426 0.83 MEN1 (0.35) MEN1GAAKMT2ACA14MAOA
SCHEMBL5651011 0.83 MEN1 (0.47) MEN1GAAKMT2ACA14MAOA
SCHEMBL8666244 0.82 MEN1 (0.46) MEN1GAAKMT2ANOS3NOS1

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed