SCHEMBL6943124

SCHEMBL6943124

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)CCOc2ccccc2)C(=O)NO)C(=O)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.54
MMP3 P08254 8/20 0.54
MMP9 P14780 7/20 0.54
MMP13 P45452 5/20 0.54
PLA2G7 Q13093 2/20 0.49
MMP1 P03956 7/20 0.37
ADAM17 P78536 2/20 0.35
DUT P33316 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL6946800 0.92 MMP2 (0.49) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6948787 0.91 PLA2G7 (0.53) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6945719 0.91 PLA2G7 (0.50) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6943165 0.89 MMP3 (0.46) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6952757 0.87 MMP3 (0.48) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6954462 0.84 MMP3 (0.56) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6943312 0.84 PLA2G7 (0.43) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6946069 0.82 MMP2 (0.41) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6946816 0.81 MMP13 (0.40) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948481 0.81 PLA2G7 (0.39) MMP2MMP3MMP9MMP13PLA2G7

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 4 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
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP claimed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO claimed