SCHEMBL9278809

SCHEMBL9278809

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CASP1 P29466 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ACE P12821 3/20 0.44
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
MBTPS1 Q14703 1/20 0.44
POLB P06746 1/20 0.44
ECE1 P42892 1/20 0.43
LTA4H P09960 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL9278805 1.00 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8603038 0.84 ATM (0.58) ALDH1A1POLB
SCHEMBL11406714 0.84 ATM (0.58) ALDH1A1POLB
SCHEMBL9301967 0.84 ATM (0.58) ALDH1A1POLB
SCHEMBL6549557 0.84 ATM (0.58) ALDH1A1POLB
SCHEMBL1517698 0.83 CASP1 (0.50) CASP1ALDH1A1LTA4H
SCHEMBL9338624 0.83 CASP1 (0.50) CASP1ALDH1A1LTA4H
Hydrochloric Acid SCHEMBL9492789 0.83 ATM (0.56) ALDH1A1POLB
SCHEMBL9492544 0.83 ALDH1A1 (0.51) CASP1ALDH1A1ACEMBTPS1POLB
SCHEMBL9493061 0.83 ALDH1A1 (0.51) CASP1ALDH1A1ACEMBTPS1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327030-B1 Method for producing alpha-aspartylphenylalanine derivatives AJINOMOTO KK (JP) 1995-01-25 EP disclosed
US-4942255-A ISOMERIZATION WITH A BASIC COMPOUND IN AN ALCOHOLIC SOLVENT TO PREVENT PRECIPITATION OF SALTS AJINOMOTO CO., INC. (JP) 1990-07-17 US disclosed