SCHEMBL7417464

SCHEMBL7417464

CC(=O)SCC(C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.71
ACE P12821 5/20 0.54
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
FOLH1 Q04609 1/20 0.50
FCER2 P06734 1/20 0.49

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
SCHEMBL7417457 1.00 MME (0.71) MMEACECPA1ACE2FOLH1
SCHEMBL7415424 0.96 MME (0.72) MMEACEFCER2
SCHEMBL7415427 0.96 MME (0.72) MMEACEFCER2
SCHEMBL7478069 0.87 MME (0.55) MMEACEFCER2
SCHEMBL7478076 0.87 MME (0.55) MMEACEFCER2
SCHEMBL7417942 0.84 MME (0.53) MMEACEFCER2
SCHEMBL7327684 0.84 MME (0.57) MMEACECPA1ACE2FOLH1
SCHEMBL7417946 0.84 MME (0.53) MMEACEFCER2
SCHEMBL7411807 0.84 MME (0.58) MMEACEFCER2
SCHEMBL7417916 0.84 MME (0.58) MMEACEFCER2

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-0609310-B1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INST NAT SANTE RECH MED (FR) 1998-07-29 EP claimed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US claimed
EP-0609310-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-10 EP claimed
EP-0539848-A1 N-(mercaptoacyl)amino acids, methods of their preparation and therapeutic use, and pharmaceutical compositions containing them INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-05-05 EP claimed
WO-1993008162-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-29 WO claimed