SCHEMBL240653

SCHEMBL240653

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 1/20 0.62
CAPN1 P07384 2/20 0.61
CTSL P07711 4/20 0.60
CTSB P07858 2/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TACR1 P25103 2/20 0.58
CASP1 P29466 1/20 0.56
CASP3 P42574 1/20 0.55
CASP7 P55210 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
KYNU Q16719 1/20 0.55

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
SCHEMBL9301372 1.00 ALDH1A1 (0.62) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL27395816 1.00 ALDH1A1 (0.62) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL9402445 1.00 ALDH1A1 (0.62) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL9862186 0.95 CASP3 (0.61) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL11059021 0.93 CTSL (0.60) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL10868800 0.93 CAPN1 (0.59) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL10347011 0.93 CAPN1 (0.59) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL9545976 0.92 CTSL (0.69) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL5303963 0.92 ALDH1A1 (0.61) ALDH1A1ALOX15CAPN1CTSLCTSB
SCHEMBL27523222 0.92 ALDH1A1 (0.61) ALDH1A1ALOX15CAPN1CTSLCTSB

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 238 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040185526-A1 Enzymatic coupling of l-phenylalanine methyl ester and n-benzyloxycarbonyl-l-as-partic acid in a continuous or fed-batch process DSM HOLLAND SWEETENER COMPANY VOF (NL) 2004-09-23 US claimed
EP-1392841-A2 ENZYMATIC COUPLING OF L-PHENYLALANINE METHYL ESTER AND N-BENZYLOXYCARBONYL-L-ASPARTIC ACID IN A CONTINUOUS OR FED-BATCH PROCESS Holland Sweetener Company V.o.F. (NL) 2004-03-03 EP claimed
EP-0728196-B1 MUTANTS OF A THERMOSTABLE NEUTRAL PROTEASE FROM BACILLUS SAGAMI CHEM RES (JP) 2003-05-02 EP claimed
WO-2002098905-A2 ENZYMATIC COUPLING OF L-PHENYLALANINE METHYL ESTER AND N-BENZYLOXYCARBONYL-L-ASPARTIC ACID IN A CONTINUOUS OR FED-BATCH PROCESS HOLLAND SWEETENER COMPANY V.O.F. (NL) 2002-12-12 WO claimed
EP-1264896-A1 Enzymatic coupling of L-phenylalanine methyl ester and N-benzyloxycarbonyl-l-aspartic acid in a continuous or fed-batch process Holland Sweetener Company V.o.F. (NL) 2002-12-11 EP claimed
EP-0616033-B1 Mutants of a thermostable neutral protease from Bacillus HOLLAND SWEETENER CO (NL) 2001-06-13 EP claimed
EP-0510552-B2 Preparation process of alpha-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 2000-11-15 EP claimed
EP-0664338-B1 Enzymatic coupling of L-phenylalanine methyl ester and N-benzyloxycarbonyl-aspartic acid HOLLAND SWEETENER CO (NL) 2000-03-22 EP claimed
EP-0896056-A1 NOVEL THERMOLYSIN-LIKE PROTEASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1999-02-10 EP claimed
US-5801022-A Method of producing a product with crosslinked crystals of thermolysin VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-09-01 US claimed
US-5283357-A Precipitating acid addition salt MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-02-01 US claimed
US-5279946-A Process for the preparation of N-benzyloxycarbonyl-alpha-L-aspartyl-L-phenylalanine methyl ester DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 1994-01-18 US claimed
EP-0510552-A1 Preparation process of alpha-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-28 EP claimed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP claimed
EP-0333036-A2 Separation method of alpha-L-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 EP claimed
US-4824994-A Method for production of N-protected-alpha-L-aspartyl-L-phenylalanine methyl ester AJINOMOTO CO., INC. (JP) 1989-04-25 US claimed
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 claimed
EP-0099855-B1 PROCESS FOR THE PREPARATION OF A DIPEPTIDE ESTER FROM L-ASPARTIC ACID Orgamol S.A. (CH) 1986-03-05 EP claimed
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 claimed
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 claimed