SCHEMBL2515423

SCHEMBL2515423

C=CCOC(=O)C(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
SCHEMBL1079463 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 95 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
EP-0074095-B1 PROCESS FOR PREPARATION OF ASPARTYLPHENYLALANINE ALKYL ESTERS TOYO SODA MANUFACTURING CO., LTD. (JP) 1986-04-30 EP claimed
US-3983162-A Optical resolution of alkyl esters of DL-phenylalanine G. D. SEARLE & CO. (US) 1976-09-28 US claimed
JP-9248197-A None JP disclosed
JP-54061140-A None JP disclosed
JP-6107631-A None JP disclosed
JP-1160495-A None JP disclosed
JP-6157466-A None JP disclosed
EP-3015488-B1 PRODUCTION METHOD FOR POLYAMINO ACID TAKEDA PHARMACEUTICALS CO (JP) 2024-03-06 EP disclosed
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 disclosed
WO-1985003932-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYÉSZETI GYÁR (HU) 1985-09-12 WO disclosed
EP-0143881-A2 Process for the preparation of an alkyl ester of L-alpha-aspartyl-L-phenyl-alanine GEMA S.A. (ES) 1985-06-12 EP disclosed
US-4436925-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-03-13 US disclosed
US-4256836-A REACTING AN N-SUBSTITUTED MONOAMINODICARBOXYLIC ACID WITH AN AMINO CARBOXYLIC ACID ESTER TOYO SODA MANUFACTURING CO. LTD. (JP) 1981-03-17 US disclosed
US-4165311-A Addition compound of dipeptide derivative and amino acid derivative TOYO SODA MANUFACTURING CO. LTD. (JP) 1979-08-21 US disclosed
JP-S5461140-A PREPARATION OF ALPHA-ASPARTYL-PHENYLALANINE ALKYL ESTER TOYO SODA MFG CO LTD 1979-05-17 JP disclosed
US-3941831-A Resolution of alkyl esters of DL-phenylalanine G. D. SEARLE & CO. (US) 1976-03-02 US disclosed
US-3941831-A Resolution of alkyl esters of DL-phenylalanine G. D. SEARLE & CO. (US) 1976-03-02 US disclosed