SCHEMBL11280295

SCHEMBL11280295

N[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MME P08473 2/20 0.44
ECE1 P42892 1/20 0.44
LTA4H P09960 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
SLC15A1 P46059 1/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL8589015 0.90 ACE (0.51) ECE1SLC15A1
SCHEMBL9561794 0.83 ATM (0.51)
SCHEMBL23366233 0.81 MME (0.48) CASP1GAAMAPTMMEECE1
SCHEMBL22181834 0.80 GAA (0.52) CASP1GAAMAPTMMEECE1
SCHEMBL11125430 0.79 MME (0.53) CASP1MMEECE1LTA4HSLC1A3
SCHEMBL1426721 0.79 ACE (0.49) LTA4H
SCHEMBL23366197 0.78 CASP1 (0.45) CASP1
SCHEMBL376886 0.77 CASP1 (0.67) CASP1MMEECE1
SCHEMBL554032 0.77 CASP1 (0.67) CASP1MMEECE1
SCHEMBL613386 0.77 CASP1 (0.67) CASP1MMEECE1

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
US-4345091-A Method of producing N-benzyloxycarbonyl-L-aspartic acid AJINOMOTO COMPANY INCORPORATED (JP) 1982-08-17 US disclosed