SCHEMBL6943312

SCHEMBL6943312

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)CCOc2ccc(Cl)cc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.43
MMP2 P08253 9/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP3 P08254 3/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL6948787 0.92 PLA2G7 (0.53) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6946069 0.92 MMP2 (0.41) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6946800 0.91 MMP2 (0.49) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6948481 0.86 PLA2G7 (0.39) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL7077657 0.86 PLA2G7 (0.46) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6952641 0.85 MMP2 (0.44) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6945719 0.84 PLA2G7 (0.50) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6943124 0.84 MMP2 (0.54) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6946802 0.83 MMP2 (0.40) PLA2G7MMP2MMP1MMP9SMN1; SMN2
SCHEMBL6948808 0.80 MMP3 (0.38) PLA2G7MMP2MMP1MMP9MMP3

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 6 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-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