SCHEMBL8197822

SCHEMBL8197822

CNC(=O)[C@@H](NC(=O)N(O)C(=O)[C@@H](O)CCC(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.42
MMP2 P08253 8/20 0.38
MMP3 P08254 6/20 0.38
ADAM17 P78536 7/20 0.38
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
MMP13 P45452 4/20 0.36
TNF P01375 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL8197269 1.00 MMP1 (0.42) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL7513209 0.85 MMP1 (0.44) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL7410121 0.83 MMP2 (0.47) MMP1MMP2MMP3
SCHEMBL8190217 0.82 MMP1 (0.40) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL9010568 0.81 MMP1 (0.35) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL8189744 0.81 MMP1 (0.40) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL8190215 0.81 MMP1 (0.40) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL8422654 0.80 MMP1 (0.34) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL8198199 0.78 ADAM17 (0.34) MMP1MMP2MMP3ADAM17MMP9
SCHEMBL9010562 0.78 ADAM17 (0.34) MMP1MMP2MMP3ADAM17MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP claimed
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