SCHEMBL7963542

SCHEMBL7963542

CC(C)(C)OC(=O)NC(C)(CCCCN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ITGB3 P05106 8/20 0.35
ITGA2B P08514 8/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CTSK P43235 5/20 0.33
CTSS P25774 4/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL28937251 1.00 NAALAD2 (0.39) NAALAD2MEN1GAAKMT2ATDP1
Hydrochloric Acid SCHEMBL1740503 0.88 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL22518918 0.85 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL22518919 0.85 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL7059870 0.84 MEN1 (0.42) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL25379547 0.83 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL22905385 0.83 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL28177271 0.83 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL4911352 0.83 TDP1 (0.53) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL9067717 0.83 TDP1 (0.53) NAALAD2MEN1GAAKMT2ATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed