SCHEMBL7425977

SCHEMBL7425977

CN1C(=O)N(CCCC(C)(CS(=O)(=O)Cl)C(=O)OCl)C(=O)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP3 P08254 2/20 0.32
MMP13 P45452 2/20 0.32
MMP7 P09237 1/20 0.32
MMP14 P50281 1/20 0.32
MMP8 P22894 1/20 0.31

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
SCHEMBL6952582 0.69 MMP2 (0.38) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL6945448 0.69 MMP2 (0.39) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL6948977 0.66 PLA2G7 (0.53) PLA2G7MMP1MMP2MMP9MMP3
SCHEMBL7603860 0.65 PLA2G7 (0.40) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL6945722 0.65 PLA2G7 (0.52) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL8019774 0.64 PLA2G7 (0.46) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL4827863 0.63 PLA2G7 (0.46) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL7968322 0.62 PLA2G7 (0.47) PLA2G7NR1H2NR1H3
SCHEMBL6950299 0.62 PLA2G7 (0.42) PLA2G7NR1H2NR1H3MMP1MMP2
SCHEMBL6946388 0.62 MMP2 (0.40) PLA2G7NR1H2NR1H3MMP1MMP2

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-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