SCHEMBL7314530

SCHEMBL7314530

N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.51
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LTA4H P09960 2/20 0.43
LAP3 P28838 1/20 0.42
SLC1A1 P43005 3/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 1/20 0.42
ABCB1 P08183 1/20 0.42
MAOB P27338 1/20 0.41
CTRB1 P17538 2/20 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
SCHEMBL7314517 1.00 SLC15A1 (0.51) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6671876 0.87 SLC15A1 (0.43) SLC15A1ALDH1A1LTA4HSLC1A1SLC1A3
SCHEMBL10908162 0.86 ANPEP (0.45) SLC15A1ALDH1A1SLC1A1SLC1A3
SCHEMBL36612 0.85 LTA4H (0.41) SLC15A1ALDH1A1LTA4HSLC1A1SLC1A3
SCHEMBL30259536 0.85 LTA4H (0.41) SLC15A1ALDH1A1LTA4HSLC1A1SLC1A3
SCHEMBL7621765 0.82 ALDH1A1 (0.53) ALDH1A1
SCHEMBL8005620 0.81 ALPI (0.54) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL14691646 0.81 ALPI (0.54) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL5176509 0.79 TGM2 (0.39) SLC15A1LTA4HSLC1A1SLC1A3
SCHEMBL7587110 0.79 ALPI (0.51) SLC15A1ALPIPKMPTGS1XIAP

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-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed