SCHEMBL7430536

SCHEMBL7430536

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.46
FCER2 P06734 4/20 0.46
MMP2 P08253 15/20 0.44
MMP3 P08254 9/20 0.44
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP7 P09237 3/20 0.43
ADAM17 P78536 1/20 0.42

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
SCHEMBL7361142 0.88 FCER2 (0.46) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7364461 0.86 FCER2 (0.47) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7365448 0.86 MMP1 (0.55) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7361762 0.83 HDAC3 (0.52) MMP1FCER2MMP2MMP3MMP9
SCHEMBL8749878 0.83 MMP1 (0.57) MMP1FCER2MMP2MMP3MMP9
SCHEMBL6415490 0.82 MMP1 (0.47) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7364815 0.81 MMP2 (0.45) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7358017 0.81 MMP1 (0.61) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7391172 0.80 MMP1 (0.47) MMP1FCER2MMP2MMP3MMP9
SCHEMBL6412867 0.80 MMP3 (0.51) MMP1FCER2MMP2MMP3MMP9

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
US-5691382-A ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-11-25 US disclosed
EP-0667770-B1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARM (GB) 1997-03-19 EP disclosed
EP-0667770-A1 INHIBITION OF TNF PRODUCTION. BRITISH BIOTECH PHARM (GB) 1995-08-23 EP disclosed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 WO disclosed