SCHEMBL8198041

SCHEMBL8198041

CNC(=O)[C@H](NC(=O)N(O)C(=O)CCCC(C)C)C(C)(C)SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.39
MMP3 P08254 7/20 0.39
MMP1 P03956 9/20 0.39
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 3/20 0.36
MMP13 P45452 4/20 0.36
FCER2 P06734 1/20 0.36
MMP8 P22894 2/20 0.35
MMP12 P39900 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
SCHEMBL8198210 0.89 GAA (0.39) MMP2MMP3MMP1MMP9ADAM17
SCHEMBL8197265 0.79 MMP2 (0.45) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6411900 0.78 MMP3 (0.42) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7360065 0.78 MMP1 (0.51) MMP2MMP3MMP1MMP9FCER2
SCHEMBL8777457 0.78 L3MBTL1 (0.43) MMP2MMP3MMP1ADAM17MMP8
SCHEMBL7411915 0.77 MMP2 (0.49) MMP2MMP3MMP1
SCHEMBL8189810 0.77 CYP1A2 (0.34) MMP1FCER2MMP8
SCHEMBL8189876 0.77 MMP1 (0.43) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8197789 0.77 MMP2 (0.39) MMP2MMP3MMP1MMP9MMP13
SCHEMBL27258950 0.76 MMP2 (0.44) MMP2MMP3MMP1MMP9MMP14

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