SCHEMBL1079463

SCHEMBL1079463

C=CCOC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
SRR Q9GZT4 2/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CTSC P53634 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
SCHEMBL2515423 1.00 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1692431 1.00 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL11133474 0.95 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
Pyrrole SCHEMBL28176452 0.93 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10458393 0.93 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
Tyrosine SCHEMBL28813646 0.89 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4268012 0.86 ALDH1A1 (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL607242 0.86 SLC7A5 (0.56) SLC7A5CYP3A4ALDH1A1HSD17B10HDAC8
SCHEMBL598432 0.86 SLC7A5 (0.56) SLC7A5CYP3A4ALDH1A1HSD17B10HDAC8
SCHEMBL19472012 0.85 SLC7A5 (0.51) 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 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585142-B Novel antimalarial compounds, method for the production thereof and use thereof for the resistance of malaria 科学与工业研究会 2024-01-19 CN claimed
CN-112585142-A Novel antimalarial compounds, preparation method and use thereof for drug-resistant malaria 科学与工业研究会 2021-03-30 CN claimed
WO-2008096373-A2 PROCESS FOR SYNTHESIZING HIGHLY PURE NATEGLINIDE POLYMORPHS IND-SWIFT LABORATORIES LIMITED (IN) 2008-08-14 WO claimed
CN-1849298-A Production of N-acyl compounds SOLVAY FLUOR GMBH (DE) 2006-10-18 CN claimed
US-20060217533-A1 Production of N-acyl compounds SOLVAY FLUOR GMBH (DE) 2006-09-28 US claimed
EP-0220923-B1 Dipeptides and process GRACE W R & CO (US) 1994-04-27 EP claimed
EP-0269390-B1 ENZYMATIC L-ASPARTYL-L-PHENYLALANINE ALKYL ESTER PRODUCTION GENENCOR INTERNATIONAL, INC. (US) 1993-08-25 EP claimed
EP-0269390-A2 Enzymatic L-aspartyl-L-phenylalanine alkyl ester production GENENCOR INTERNATIONAL, INC. (US) 1988-06-01 EP claimed
US-4709075-A REACTING ALKYL L-PHENYLALANATE AND MALEIC ANHYDRIDE HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-24 US claimed
EP-0074095-B1 PROCESS FOR PREPARATION OF ASPARTYLPHENYLALANINE ALKYL ESTERS TOYO SODA MANUFACTURING CO., LTD. (JP) 1986-04-30 EP claimed
EP-0169937-A2 Process for the preparation of alpha-L-aspartyl-L-phenylalanine alkyl esters FARCHEMIA S.p.A. (IT) 1986-02-05 EP claimed
US-4539147-A 3,5-DIMETHOXY-2,2-DIMETHYLBENZYLOXYCARBONYL GROUP TO PROTECT AMINE OF ASPARTIC ACID SIRAC SPA (IT) 1985-09-03 US claimed
EP-0149594-A2 Enzymatic coupling of n-formyl amino acids and/or peptide residues Monsanto Company (US) 1985-07-24 EP claimed
EP-0102483-A1 Process for preparing alpha-l-aspartyl-l-phenylalanine alkyl esters SIRAC SRL (IT) 1984-03-14 EP claimed
EP-0030076-B1 PURIFICATION OF L-ASPARTYL-L-PHENYLALANINE ALKYL ESTERS PFIZER INC. (US) 1983-10-19 EP claimed
EP-0030076-A1 Purification of L-aspartyl-L-phenylalanine alkyl esters PFIZER INC. (US) 1981-06-10 EP claimed
US-4238392-A Purification of L-aspartyl-L-phenylalanine alkyl esters PFIZER INC. (US) 1980-12-09 US claimed
US-3983162-A Optical resolution of alkyl esters of DL-phenylalanine G. D. SEARLE & CO. (US) 1976-09-28 US claimed
JP-1160495-A None JP disclosed
US-3933781-A Process for the preparation of α-L-aspartyl-L-phenylalanine alkyl esters MONSANTO COMPANY (US) 1976-01-20 US disclosed