SCHEMBL7418449

SCHEMBL7418449

CN(C(=O)[C@@H](N)CC(=O)O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC15A1 P46059 1/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44

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
SCHEMBL8628526 1.00 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27454076 0.90 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28589069 0.90 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8630182 0.87 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9499407 0.87 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8814348 0.87 ANPEP (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7450513 0.86 HTR2A (0.46) MMP9SLC1A3SLC1A2SLC1A1
SCHEMBL27926021 0.84 ANPEP (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL30534322 0.84 ANPEP (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27182804 0.84 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048345-B1 PROCESS FOR THE PREPARATION OF AN ALPHA-L-ASPARTYL-L-PHENYLALANINE-ALKYL ESTER CHIMICASA GMBH (CH) 1983-09-21 EP claimed
EP-0659193-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-12-10 EP disclosed
EP-0466963-B1 A process for the preparation of alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride by use of isolated N-formyl-aspartic anhydride NUTRASWEET CO (US) 1995-11-08 EP disclosed
EP-0659193-A1 PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1995-06-28 EP disclosed
US-5354738-A Amino acid derivatives G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
WO-1994005694-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-03-17 WO disclosed
EP-0466963-A1 A process for the preparation of alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride by use of isolated N-formyl-aspartic anhydride THE NUTRASWEET COMPANY (US) 1992-01-22 EP disclosed
US-4761495-A Method relating to preparation of aspartyl peptides ISOCHEM S.A. (FR) 1988-08-02 US disclosed
EP-0259996-A1 Sweetening composition Cultor Ltd. (FI) 1988-03-16 EP disclosed
EP-0254401-A2 Sweetening composition Cultor Ltd. (FI) 1988-01-27 EP disclosed
EP-0028251-B1 PROCESS FOR PRODUCING N-ACYL-D-PHENYLALANINE ESTER ETHYL CORPORATION (US) 1983-03-16 EP disclosed
EP-0028251-A1 PROCESS FOR PRODUCING N-ACYL-D-PHENYLALANINE ESTER. ETHYL CORP (US) 1981-05-13 EP disclosed
EP-0028251-A4 PROCESS FOR PRODUCING N-ACYL-D-PHENYLALANINE ESTER. ETHYL CORP (US) 1981-03-27 EP disclosed
WO-1980002421-A1 PROCESS FOR PRODUCING N-ACYL-D-PHENYLALANINE ESTER ETHYL CORP (US) 1980-11-13 WO disclosed