SCHEMBL9515152

SCHEMBL9515152

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
EPHX1 P07099 1/20 0.44
SLC15A1 P46059 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 2/20 0.42
CPA1 P15085 2/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
MME P08473 1/20 0.40
TSHR P16473 1/20 0.39

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
Phenylalanine Methyl Ester SCHEMBL14988983 0.85 SLC7A5 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2687672 0.82 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28127104 0.82 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL288607 0.80 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8835936 0.80 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28820471 0.80 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29160724 0.79 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9021257 0.78 SLC22A6 (0.32) CASP1
SCHEMBL27711949 0.76 EPHX1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3926429 0.75 ALPI (0.56) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP claimed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US claimed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP claimed
EP-0307496-B1 PROCESS FOR THE PRODUCTION OF N-FORMYL-ASPARTYL-PHENYLALANINE OR ITS METHYL ESTER AJINOMOTO CO., INC. (JP) 1993-06-30 EP disclosed
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed
EP-0200311-B1 PREPARATION PROCESS OF ALPHA-L-ASPARTYL-L-PHENYLALANINE METHYL ESTER OR HYDROCHLORIDE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-10 EP disclosed
EP-0307496-A1 Process for the production of N-formyl-aspartyl-phenylalanine or its methyl ester AJINOMOTO CO., INC. (JP) 1989-03-22 EP disclosed
US-4778916-A CONDENSATION OF N-FORMYL-L-ASPARTIC ACID ANHYDRIDE WITH PHENYLALANINE IN BASIC AQUEOUS SOLUTION MITSUI TOATSU CHEMICALS, INC. (JP) 1988-10-18 US disclosed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US disclosed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US disclosed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US disclosed
EP-0200311-A2 Preparation process of alpha-L-aspartyl-L-phenylalanine methyl ester or hydrochloride thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-05 EP disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed