SCHEMBL6947254

SCHEMBL6947254

CCCCCCCCN(CCC#N)S(=O)(=O)CC(CCCN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.37
MMP9 P14780 8/20 0.37
MMP13 P45452 7/20 0.37
MMP3 P08254 7/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 7/20 0.32
MMP8 P22894 5/20 0.32
MMP7 P09237 2/20 0.31
MMP14 P50281 2/20 0.31
ADAM17 P78536 1/20 0.30

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
SCHEMBL6948470 0.90 MMP2 (0.30) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6946816 0.87 MMP13 (0.40) MMP2MMP9MMP13MMP3CA1
SCHEMBL6953868 0.77 MMP2 (0.32) MMP2MMP9MMP13MMP3CA2
SCHEMBL6952757 0.74 MMP3 (0.48) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6943088 0.73 MMP2 (0.49) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6943124 0.72 MMP2 (0.54) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6949235 0.71 MMP2 (0.43) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6946800 0.71 MMP2 (0.49) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6943165 0.69 MMP3 (0.46) MMP2MMP9MMP13MMP3MMP1
SCHEMBL6948783 0.67 MMP13 (0.47) MMP2MMP9MMP13MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP claimed