SCHEMBL6948787

SCHEMBL6948787

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)CCOc2ccccc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.53
MMP2 P08253 9/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 1/20 0.44
MMP1 P03956 4/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
PPARG P37231 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
SCHEMBL6945719 0.92 PLA2G7 (0.50) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6943312 0.92 PLA2G7 (0.43) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6943124 0.91 MMP2 (0.54) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6948808 0.86 MMP3 (0.38) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6946800 0.83 MMP2 (0.49) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6948525 0.83 PLA2G7 (0.54) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6945722 0.81 PLA2G7 (0.52) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6953868 0.81 MMP2 (0.32) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6943165 0.80 MMP3 (0.46) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6952757 0.78 MMP3 (0.48) PLA2G7MMP2MMP3MMP9MMP13

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 8 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
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed