SCHEMBL7304938

SCHEMBL7304938

CC(C)C[C@H](NC(=O)C(S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.77
ACE P12821 12/20 0.72
CPA1 P15085 5/20 0.69
ACE2 Q9BYF1 5/20 0.69
FOLH1 Q04609 1/20 0.64

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
SCHEMBL8005905 0.94 MME (0.87) MMEACECPA1ACE2
SCHEMBL4997460 0.90 MME (0.81) MMEACECPA1ACE2
SCHEMBL29373608 0.90 MME (0.81) MMEACECPA1ACE2
SCHEMBL9068713 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869122 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869120 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869127 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL5869124 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL5870542 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL8387156 0.87 MME (0.74) MMEACECPA1ACE2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595878-A1 ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-11 EP claimed
WO-1993002099-A1 ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-02-04 WO claimed
EP-0524553-A1 Acylmercaptoalkanoyldipeptides, methods of preparation and their therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 EP claimed
US-5801274-A N- mercaptoacyl(amino acid or peptide)! compounds and S-lipophilic aliphatic carbonyl derivatives thereof as antihypertensives INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-09-01 US disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
WO-1994017036-A1 S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-04 WO disclosed
EP-0595878-A1 ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-11 EP disclosed
WO-1993002099-A1 ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-02-04 WO disclosed
EP-0524553-A1 Acylmercaptoalkanoyldipeptides, methods of preparation and their therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 EP disclosed