SCHEMBL11037883

SCHEMBL11037883

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.53
RNPEP Q9H4A4 2/20 0.53
DNPEP Q9ULA0 2/20 0.53
LTA4H P09960 1/20 0.53
MME P08473 2/20 0.49
LAP3 P28838 2/20 0.48
LARS1 Q9P2J5 1/20 0.48
ACE P12821 4/20 0.47

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
SCHEMBL11027742 1.00 ANPEP (0.53) ANPEPRNPEPDNPEPLTA4HMME
SCHEMBL11026675 1.00 ANPEP (0.53) ANPEPRNPEPDNPEPLTA4HMME
SCHEMBL11027002 1.00 ANPEP (0.53) ANPEPRNPEPDNPEPLTA4HMME
SCHEMBL21012315 0.88 BACE1 (0.47) ANPEPRNPEPDNPEPLTA4HMME
SCHEMBL17596479 0.88 LAP3 (0.50) ANPEPRNPEPDNPEPLTA4HMME
SCHEMBL11026872 0.88 CTSC (0.57) ANPEPRNPEPDNPEPLTA4HLAP3
Hydrochloric Acid SCHEMBL20474480 0.87 BACE1 (0.46) ANPEPRNPEPDNPEPLTA4HMME
Hydrochloric Acid SCHEMBL20474482 0.87 LAP3 (0.49) ANPEPRNPEPDNPEPLTA4HMME
Hydrochloric Acid SCHEMBL17596560 0.87 LAP3 (0.49) ANPEPRNPEPDNPEPLTA4HMME
Hydrochloric Acid SCHEMBL17595551 0.87 BACE1 (0.46) ANPEPRNPEPDNPEPLTA4HMME

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