SCHEMBL6948481

SCHEMBL6948481

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)CCOc2ccccc2Cl)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
MMP13 P45452 1/20 0.38
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MMP1 P03956 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6943165 0.91 MMP3 (0.46) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6948787 0.89 PLA2G7 (0.53) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6943312 0.86 PLA2G7 (0.43) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6948808 0.82 MMP3 (0.38) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6945719 0.81 PLA2G7 (0.50) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6943124 0.81 MMP2 (0.54) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6946069 0.78 MMP2 (0.41) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6953868 0.78 MMP2 (0.32) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6946802 0.76 MMP2 (0.40) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6950782 0.75 MMP2 (0.39) PLA2G7MMP2MMP9MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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