SCHEMBL11029604

SCHEMBL11029604

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.59
LAP3 P28838 2/20 0.49
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
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
PYGL P06737 1/20 0.46
MME P08473 2/20 0.46
LTA4H P09960 2/20 0.46

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
SCHEMBL11026872 0.87 CTSC (0.57) LAP3ANPEPRNPEPDNPEPALPI
SCHEMBL11027742 0.86 ANPEP (0.53) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL11037883 0.86 ANPEP (0.53) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL11027002 0.86 ANPEP (0.53) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL11026675 0.86 ANPEP (0.53) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL11028137 0.85 LAP3 (0.56) CTRB1LAP3ANPEPRNPEPDNPEP
SCHEMBL23752425 0.83 CTRB1 (0.59) CTRB1NPC1RAB9AMMELTA4H
SCHEMBL23752423 0.83 CTRB1 (0.59) CTRB1NPC1RAB9AMMELTA4H
SCHEMBL10626606 0.83 MMP2 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7434134 0.81 CTRB1 (0.55) CTRB1NPC1RAB9AALPIPKM

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 5 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
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