SCHEMBL6946800

SCHEMBL6946800

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)CCOc2ccc(Cl)cc2)C(=O)NO)C(=O)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.49
MMP3 P08254 8/20 0.49
MMP9 P14780 7/20 0.49
MMP13 P45452 5/20 0.49
MMP1 P03956 9/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G7 Q13093 2/20 0.40
ADAM17 P78536 2/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL6943124 0.92 MMP2 (0.54) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6946069 0.91 MMP2 (0.41) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6943312 0.91 PLA2G7 (0.43) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6943165 0.87 MMP3 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7080806 0.86 MMP3 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948827 0.86 MMP2 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6949235 0.84 MMP2 (0.43) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948787 0.83 PLA2G7 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6945719 0.82 PLA2G7 (0.50) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6952757 0.80 MMP3 (0.48) MMP2MMP3MMP9MMP13MMP1

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 2 patents. 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
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US claimed