SCHEMBL7372142

SCHEMBL7372142

C=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1cccc(OC)c1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.43
MMP1 P03956 6/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.40
MMP2 P08253 5/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 2/20 0.39
MTNR1B P49286 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 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
SCHEMBL7368610 0.89 ANPEP (0.43) MMP3MMP1MMP2MMP9MMP13
SCHEMBL7372625 0.87 MMP2 (0.51) MMP3MMP1MMP2MMP9MMP13
SCHEMBL7410230 0.82 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP13
SCHEMBL7372936 0.82 ADAM17 (0.43) MMP3MMP1MMP2MMP9MMP13
SCHEMBL7406850 0.82 MMP2 (0.50) MMP3MMP1MMP2MMP9MMP13
SCHEMBL8777469 0.77 MMP1 (0.49) MMP3MMP1MMP2MMP9MMP13
SCHEMBL7371930 0.74 HSPA5 (0.48) MMP3MMP1ALDH1A1TSHRMMP2
SCHEMBL8777482 0.71 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP13
SCHEMBL8777489 0.70 MMP2 (0.46) MMP3MMP1MMP2MMP9MMP13
SCHEMBL7600843 0.69 MMP1 (0.48) MMP3MMP1MMP2MMP9MMP13

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
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
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