SCHEMBL8197867

SCHEMBL8197867

CNC(=O)[C@H](NC(=O)N(O)C(=O)CCCC(C)C)C(C)(C)[S+]([O-])Cc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.38
MMP2 P08253 5/20 0.38
MMP1 P03956 14/20 0.36
ALOX5 P09917 1/20 0.36
BMP1 P13497 1/20 0.35
MMP13 P45452 4/20 0.35
MMP9 P14780 3/20 0.35
ADAM17 P78536 2/20 0.34
TNF P01375 1/20 0.34
MMP7 P09237 1/20 0.34
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8200999 0.86 MMP1 (0.36) MMP3MMP2MMP1MMP13MMP9
SCHEMBL8197792 0.83 MMP3 (0.38) MMP3MMP2MMP1ALOX5MMP13
SCHEMBL8198210 0.82 GAA (0.39) MMP3MMP2MMP1ALOX5MMP13
SCHEMBL8200251 0.79 KDM4C (0.33) MMP3MMP2MMP1MMP13MMP9
SCHEMBL6416552 0.78 MMP1 (0.54) MMP3MMP2MMP1MMP13MMP9
SCHEMBL8189744 0.75 MMP1 (0.40) MMP3MMP2MMP1MMP13MMP9
SCHEMBL6411900 0.74 MMP3 (0.42) MMP3MMP2MMP1MMP13MMP9
SCHEMBL7358479 0.71 ALOX5 (0.44) MMP3MMP2MMP1ALOX5MMP13
SCHEMBL8198041 0.70 MMP2 (0.39) MMP3MMP2MMP1MMP13MMP9
SCHEMBL8422729 0.70 MMP2 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
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