SCHEMBL9300989

SCHEMBL9300989

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.62
ECE1 P42892 1/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
SLC1A3 P43003 3/20 0.55
SLC1A2 P43004 3/20 0.55
SLC1A1 P43005 3/20 0.55
MME P08473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL10694682 1.00 ACE (0.62) ACEECE1ALPIPKMPTGS1
SCHEMBL18222570 1.00 ACE (0.62) ACEECE1ALPIPKMPTGS1
SCHEMBL6830447 1.00 ACE (0.62) ACEECE1ALPIPKMPTGS1
SCHEMBL8605262 1.00 ACE (0.62) ACEECE1ALPIPKMPTGS1
SCHEMBL8213279 0.98 ACE (0.60) ACEECE1ALPIPKMPTGS1
SCHEMBL27516456 0.91 MME (0.54) ACEECE1ALPIPKMPTGS1
SCHEMBL7999080 0.91 MME (0.54) ACEECE1ALPIPKMPTGS1
Potassium Ion SCHEMBL8213281 0.88 ALPI (0.53) ACEECE1ALPIPKMPTGS1
SCHEMBL18222587 0.88 ACE (0.64) ACESLC7A5MMENAALAD2
SCHEMBL11406714 0.87 ATM (0.58) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032212-C N-protected alpha-L-aspartyl-L-methyl phenylalaninate MITSUI TOATSU CHEMICALS (JP) 1996-07-03 CN disclosed
EP-0334236-B1 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 1994-08-31 EP disclosed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
CN-1036581-A N-is protected the preparation method of 2-L-aspartyl-L-phenylalanine methyl esters MITSUI TOATSU CHEMICALS (JP) 1989-10-25 CN disclosed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP disclosed
EP-0270345-A2 Preparation of alpha-L-aspartyl-L-phenyl-alanine methyl ester or hydrohalide thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-08 EP disclosed