SCHEMBL7416486

SCHEMBL7416486

CC(=O)SCC(C(=O)NC(C)C(=O)O)C(C)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.67
ACE P12821 6/20 0.48
FCER2 P06734 1/20 0.45

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
SCHEMBL7416489 1.00 MME (0.67) MMEACEFCER2
SCHEMBL7417946 0.90 MME (0.53) MMEACEFCER2
SCHEMBL7417942 0.90 MME (0.53) MMEACEFCER2
SCHEMBL8634015 0.88 MME (0.69) MMEACEFCER2
SCHEMBL8579605 0.88 MME (0.69) MMEACEFCER2
SCHEMBL6442555 0.87 MME (0.64) MMEACE
SCHEMBL6442561 0.87 MME (0.64) MMEACE
SCHEMBL7416450 0.84 CYP1A2 (0.48) MMEACEFCER2
SCHEMBL7416451 0.84 CYP1A2 (0.48) MMEACEFCER2
SCHEMBL7421469 0.84 MME (0.49) 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 8 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
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