SCHEMBL7403732

SCHEMBL7403732

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
ANPEP P15144 2/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
MMP1 P03956 6/20 0.40
MMP2 P08253 5/20 0.40
MMP3 P08254 4/20 0.40
SLC15A1 P46059 1/20 0.40
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP7 P09237 2/20 0.39
FCER2 P06734 1/20 0.39

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
SCHEMBL8510054 0.90 ANPEP (0.43) LTA4HANPEPRNPEPDNPEPMMP1
SCHEMBL8764880 0.89 ANPEP (0.42) LTA4HANPEPRNPEPDNPEPMMP1
SCHEMBL7400676 0.88 ANPEP (0.44) LTA4HANPEPRNPEPDNPEPMMP1
SCHEMBL7408304 0.85 MMP1 (0.45) LTA4HANPEPRNPEPDNPEPMMP1
SCHEMBL6414163 0.84 ANPEP (0.47) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL7397719 0.83 ELANE (0.44) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL8015476 0.83 ACE (0.43) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL6414041 0.83 MME (0.48) ANPEPRNPEPDNPEPMMP1MMP2
SCHEMBL6413668 0.82 ANPEP (0.44) LTA4HANPEPRNPEPDNPEPMMP1
SCHEMBL7403302 0.82 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed
EP-0824543-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP disclosed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed