SCHEMBL7368610

SCHEMBL7368610

C=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccc(OC)cc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
MMP3 P08254 11/20 0.43
MMP2 P08253 10/20 0.43
MMP1 P03956 8/20 0.43
MMP9 P14780 4/20 0.43
MMP7 P09237 2/20 0.42
MMP13 P45452 3/20 0.42
MMP8 P22894 2/20 0.42
ADAM17 P78536 2/20 0.42
MMP14 P50281 1/20 0.42
HTT P42858 1/20 0.41
TNF P01375 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7410230 0.89 MMP3 (0.44) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7372142 0.89 MMP3 (0.43) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7372625 0.88 MMP2 (0.51) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7406850 0.87 MMP2 (0.50) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7372936 0.81 ADAM17 (0.43) MMP3MMP2MMP1MMP9MMP13
SCHEMBL8777469 0.79 MMP1 (0.49) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7411762 0.79 MMP1 (0.58) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7371930 0.77 HSPA5 (0.48) MMP3MMP2MMP1MMP9MMP13
SCHEMBL8189738 0.76 MMP1 (0.47) MMP3MMP2MMP1MMP9MMP7
SCHEMBL8777482 0.74 MMP3 (0.44) MMP3MMP2MMP1MMP9MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP claimed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed