SCHEMBL11026872

SCHEMBL11026872

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.57
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
SLC15A1 P46059 1/20 0.50
LTA4H P09960 2/20 0.48
PYGL P06737 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
CTSD P07339 1/20 0.44
ANPEP P15144 1/20 0.44
LAP3 P28838 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44

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
SCHEMBL11025311 0.93 SLC7A5 (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL11027926 0.93 SLC7A5 (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL10626606 0.90 MMP2 (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL3134765 0.90 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL11027002 0.88 ANPEP (0.53) LTA4HANPEPLAP3RNPEPDNPEP
SCHEMBL11027742 0.88 ANPEP (0.53) LTA4HANPEPLAP3RNPEPDNPEP
SCHEMBL11026675 0.88 ANPEP (0.53) LTA4HANPEPLAP3RNPEPDNPEP
SCHEMBL11037883 0.88 ANPEP (0.53) LTA4HANPEPLAP3RNPEPDNPEP
SCHEMBL11028137 0.87 LAP3 (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL11029604 0.87 CTRB1 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077274-B1 3-AMINO-2-HYDROXY-4-PHENYLBUTANOIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-08-28 EP claimed
US-4474764-A ANALGESICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-10-02 US claimed
EP-0077274-A1 3-Amino-2-hydroxy-4-phenylbutanoic acid derivatives and pharmaceutical composition containing the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-04-20 EP claimed
EP-0077274-B1 3-AMINO-2-HYDROXY-4-PHENYLBUTANOIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-08-28 EP disclosed
US-4474764-A ANALGESICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-10-02 US disclosed
EP-0077274-A1 3-Amino-2-hydroxy-4-phenylbutanoic acid derivatives and pharmaceutical composition containing the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-04-20 EP disclosed