SCHEMBL7597487

SCHEMBL7597487

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.46
MMP13 P45452 3/20 0.46
MMP2 P08253 13/20 0.44
MMP12 P39900 1/20 0.44
MMP9 P14780 9/20 0.43
MMP3 P08254 9/20 0.43
MMP8 P22894 5/20 0.43
MMP7 P09237 2/20 0.43
FCER2 P06734 1/20 0.43
MMP14 P50281 3/20 0.41
ADAM17 P78536 2/20 0.41

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
SCHEMBL7373924 0.86 MMP1 (0.45) MMP1MMP13MMP2MMP12MMP9
SCHEMBL8189738 0.85 MMP1 (0.47) MMP1MMP13MMP2MMP12MMP9
SCHEMBL7600843 0.83 MMP1 (0.48) MMP1MMP13MMP2MMP12MMP9
SCHEMBL7595847 0.83 MMP1 (0.44) MMP1MMP13MMP2MMP12MMP9
SCHEMBL7372625 0.80 MMP2 (0.51) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7597125 0.79 MMP1 (0.41) MMP1MMP13MMP2MMP9MMP3
SCHEMBL7596890 0.79 MMP1 (0.52) MMP1MMP13MMP2MMP12MMP9
SCHEMBL7595499 0.78 MMP1 (0.47) MMP1MMP13MMP2MMP12MMP9
SCHEMBL8197037 0.77 MMP3 (0.47) MMP1MMP13MMP2MMP12MMP9
SCHEMBL8189622 0.77 MMP3 (0.47) MMP1MMP13MMP2MMP12MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP claimed
EP-1131634-A2 DETERMINING THE MECHANISM OF BETA-AMYLOID PEPTIDE GENERATION Elan Pharmaceuticals, Inc. (US) 2001-09-12 EP claimed
WO-2000019210-A2 DETERMINING THE MECHANISM OF BETA-AMYLOID PEPTIDE GENERATION ELAN PHARMACEUTICALS, INC. (US) 2000-04-06 WO claimed
EP-0905126-A1 Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-03-31 EP claimed
EP-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP disclosed
US-6017889-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-01-25 US disclosed
EP-0905126-A1 Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-03-31 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