SCHEMBL8198210

SCHEMBL8198210

CNC(=O)[C@H](NC(=O)N(O)C(=O)CCCC(C)C)C(C)(C)SCc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MMP3 P08254 8/20 0.39
MMP2 P08253 5/20 0.39
ALOX5 P09917 1/20 0.37
MMP1 P03956 12/20 0.37
ACE P12821 1/20 0.36
MMP13 P45452 4/20 0.36
MMP9 P14780 3/20 0.36
ADAM17 P78536 2/20 0.35
TNF P01375 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP7 P09237 1/20 0.35
MMP8 P22894 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL8198041 0.89 MMP2 (0.39) MMP3MMP2MMP1MMP13MMP9
SCHEMBL8422672 0.85 GAA (0.39) GAAMMP3MMP2MMP1ACE
SCHEMBL8197792 0.83 MMP3 (0.38) MMP3MMP2ALOX5MMP1MMP13
SCHEMBL8197867 0.82 MMP3 (0.38) MMP3MMP2ALOX5MMP1MMP13
SCHEMBL6416552 0.80 MMP1 (0.54) MMP3MMP2MMP1MMP13MMP9
SCHEMBL6411900 0.75 MMP3 (0.42) MMP3MMP2MMP1MMP13MMP9
SCHEMBL8200744 0.73 KDM4C (0.34) MMP3MMP2MMP1MMP13MMP9
SCHEMBL7358479 0.72 ALOX5 (0.44) MMP3MMP2ALOX5MMP1MMP13
SCHEMBL23997631 0.72 SAE1 (0.46) GAAMMP3MMP1ACEMMP9
SCHEMBL8200251 0.70 KDM4C (0.33) MMP3MMP2MMP1MMP13MMP9

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-6017889-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-01-25 US disclosed
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP disclosed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed