SCHEMBL7475365

SCHEMBL7475365

CC(C)(C)OC(=O)CC(CC#Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C(=O)Nc1ccccn1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.45
MMP1 P03956 4/20 0.45
MMP9 P14780 3/20 0.45
MMP2 P08253 12/20 0.44
MMP7 P09237 1/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35

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
SCHEMBL7420144 0.91 MMP3 (0.48) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7425834 0.88 MMP2 (0.47) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7474091 0.77 GRIK1 (0.46) MMP3MMP1MMP9MMP2
SCHEMBL7471920 0.70 MMP2 (0.37) MMP3MMP1MMP9MMP2
SCHEMBL8664026 0.69 MMP1 (0.51) MMP3MMP1MMP9MMP2MMP7
SCHEMBL7192046 0.69 MMP3 (0.52) MMP3MMP1MMP9MMP2MMP7
SCHEMBL8652197 0.68 MMP1 (0.49) MMP3MMP1MMP9MMP2MMP7
SCHEMBL28611674 0.66 LMNA (0.41) MEN1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6892615 0.64 CTSS (0.61) MMP1
SCHEMBL8887821 0.64 MMP1 (0.76) MMP3MMP1MMP9MMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944587-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2002-03-20 EP disclosed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO disclosed