SCHEMBL8085197

SCHEMBL8085197

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
OPRK1 P41145 1/20 0.55
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.52
BIRC2 Q13490 1/20 0.51
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL27486872 0.96 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7146204 0.96 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL900809 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8091203 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL11085391 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10625481 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8761655 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL3637 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10635593 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL216238 0.96 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526854-B1 Method for recovery of alpha-L-aspartyl-L-phenylalanine methyl ester, L-phenylalanine and l-aspartic acid AJINOMOTO KK (JP) 1997-05-02 EP claimed
US-5347035-A Purification TOSOH CORPORATION (JP) 1994-09-13 US claimed
US-5304671-A Solid-liquid separation of suspension; no desalting; precipitation of acid salt; neutralization; hydrolysis AJINOMOTO CO., INC. (JP) 1994-04-19 US claimed
EP-0526854-A2 Method for recovery of alpha-L-aspartyl-L-phenylalanine methyl ester, L-phenylalanine and l-aspartic acid Ajinomoto Co., Inc. (JP) 1993-02-10 EP claimed
JP-5286994-A None JP disclosed
EP-0510552-B2 Preparation process of alpha-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 2000-11-15 EP disclosed
US-5424477-A Preparation process of α-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1995-06-13 US disclosed
US-5347035-A Purification TOSOH CORPORATION (JP) 1994-09-13 US disclosed
US-5347035-A Purification TOSOH CORPORATION (JP) 1994-09-13 US disclosed
JP-H05286994-A METHOD FOR CRYSTALLIZING ALPHA-L-ASPARTYL-LPHENYLALANINE METHYL ESTER TOSOH CORP 1993-11-02 JP disclosed
EP-0510552-A1 Preparation process of alpha-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-28 EP disclosed
EP-0099585-B1 PROCESS FOR PRODUCING AN ADDITION COMPOUND OF A DIPEPTIDE ESTER AND AN AMINO ACID ESTER TOYO SODA MANUFACTURING CO., LTD. (JP) 1987-11-04 EP disclosed
US-4521514-A Process for producing an addition compound of a dipeptide ester and an amino acid ester TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-06-04 US disclosed
EP-0099585-A1 Process for producing an addition compound of a dipeptide ester and an amino acid ester TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-02-01 EP disclosed
US-4017472-A Process for isolation of aspartyl dipeptide esters G. D. SEARLE & CO. (US) 1977-04-12 US disclosed