SCHEMBL9618798

SCHEMBL9618798

N[C@@H](Cc1ccccc1C(=O)[C@H](CC(=O)O)NC=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
PKM P14618 2/20 0.41
ALPI P09923 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
MPO P05164 1/20 0.39
TSHR P16473 1/20 0.39
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36

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
SCHEMBL10870900 1.00 NOS3 (0.42) NOS3NOS1NOS2PKMALPI
SCHEMBL27849759 0.85 ALPI (0.35) NOS3NOS1NOS2PKMALPI
SCHEMBL10870881 0.85 ALPI (0.35) NOS3NOS1NOS2PKMALPI
SCHEMBL27293020 0.81 NOS3 (0.50) NOS3NOS1NOS2PKMALPI
SCHEMBL27293026 0.81 NOS3 (0.50) NOS3NOS1NOS2PKMALPI
SCHEMBL27308574 0.79 OPRK1 (0.40) KMT2ATSHRALDH1A1CYP2C9HSD17B10
SCHEMBL27328776 0.79 OPRK1 (0.40) KMT2ATSHRALDH1A1CYP2C9HSD17B10
SCHEMBL10359245 0.77 TPH1 (0.48) PKMALPIPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL28207394 0.76 SLC7A5 (0.61) NOS3NOS1NOS2PKMALPI
Phenylalanine SCHEMBL27624223 0.76 SLC7A5 (0.61) NOS3NOS1NOS2PKMALPI

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 8 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-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 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
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