SCHEMBL7411762

SCHEMBL7411762

C=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.58
MMP3 P08254 8/20 0.58
MMP9 P14780 6/20 0.58
MMP2 P08253 7/20 0.54
MMP7 P09237 1/20 0.54
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.39
MMP13 P45452 2/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FFAR2 O15552 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
SCHEMBL7373924 0.88 MMP1 (0.45) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7372625 0.85 MMP2 (0.51) MMP1MMP3MMP9MMP2MMP13
SCHEMBL7406850 0.84 MMP2 (0.50) MMP1MMP3MMP9MMP2MMP13
SCHEMBL7372936 0.83 ADAM17 (0.43) MMP1MMP3MMP9MMP2RAB9A
SCHEMBL7371930 0.81 HSPA5 (0.48) MMP1MMP3MMP9MMP2LMNA
SCHEMBL7410230 0.81 MMP3 (0.44) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8887925 0.80 MMP1 (0.53) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8888458 0.80 MMP1 (0.53) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7366585 0.80 MMP1 (0.59) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8777469 0.79 MMP1 (0.49) MMP1MMP3MMP9MMP2MMP7

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-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP claimed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 US 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-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US 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