SCHEMBL9716075

SCHEMBL9716075

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
SLC15A1 P46059 1/20 0.43
LTA4H P09960 3/20 0.41
HPGD P15428 1/20 0.41
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL28745958 0.90 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9499407 0.85 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8630182 0.85 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4481943 0.82 ALPI (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28417004 0.82 ALPI (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5691566 0.82 ALPI (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8628526 0.82 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7418449 0.82 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1890159 0.80 HPGD (0.53) HPGDMEN1KMT2ACYP1A2
SCHEMBL9516223 0.80 ALPI (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 EP disclosed