SCHEMBL7474091

SCHEMBL7474091

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
MMP13 P45452 11/20 0.44
MMP2 P08253 11/20 0.44
MMP3 P08254 9/20 0.43
MMP1 P03956 4/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
PTPN11 Q06124 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ACACB O00763 1/20 0.38
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7471920 0.85 MMP2 (0.37) GRIK1GRIK2MMP13MMP2MMP3
SCHEMBL1912588 0.78 MME (0.51) CTSSCTSKCA2CA9
SCHEMBL1912534 0.78 MME (0.51) CTSSCTSKCA2CA9
SCHEMBL11994292 0.78 MME (0.51) CTSSCTSKCA2CA9
SCHEMBL7475365 0.77 MMP3 (0.45) MMP2MMP3MMP1MMP9
SCHEMBL7788670 0.74 GRIK1 (0.53) GRIK1GRIK2MMP13MMP2PTPN11
SCHEMBL7041264 0.73 PTPN11 (0.68) PTPN11CTSSCTSKACACB
SCHEMBL8484378 0.72 KMT2A (0.49) CTSSCTSKCA2CA9PTPN1
SCHEMBL1704171 0.72 CPA1 (0.60) CA2CA9
SCHEMBL1915766 0.72 CPA1 (0.60) CA2CA9

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