SCHEMBL7471920

SCHEMBL7471920

CC(C)(C)OC(=O)CC(CC#Cc1ccc(-c2ccccc2)cc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.37
MMP13 P45452 9/20 0.37
MMP3 P08254 7/20 0.37
MMP1 P03956 3/20 0.37
MMP9 P14780 2/20 0.36
MMP8 P22894 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MMP12 P39900 2/20 0.33
ACACB O00763 1/20 0.33
MMP14 P50281 1/20 0.32
MMP15 P51511 1/20 0.32
MMP16 P51512 1/20 0.32
MMP26 Q9NRE1 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL7474091 0.85 GRIK1 (0.46) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7475365 0.70 MMP3 (0.45) MMP2MMP3MMP1MMP9
SCHEMBL8603890 0.67 CA2 (0.36) MMP2MMP3MMP1MMP9GRIK1
SCHEMBL8603892 0.67 CA2 (0.36) MMP2MMP3MMP1MMP9GRIK1
SCHEMBL8057889 0.67 CA2 (0.36) MMP2MMP3MMP1MMP9GRIK1
SCHEMBL1912588 0.67 MME (0.51) CA2CA9CTSSCTSK
SCHEMBL1912534 0.67 MME (0.51) CA2CA9CTSSCTSK
SCHEMBL11994292 0.67 MME (0.51) CA2CA9CTSSCTSK
SCHEMBL7041264 0.67 PTPN11 (0.68) PTPN11CTSSCTSKACACB
SCHEMBL2876345 0.66 CA2 (0.51) CA2CA9CTSSCTSK

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