SCHEMBL6945722

SCHEMBL6945722

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.52
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MMP1 P03956 1/20 0.36
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
FDPS P14324 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6948977 0.83 PLA2G7 (0.53) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6948787 0.81 PLA2G7 (0.53) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6945719 0.79 PLA2G7 (0.50) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6943124 0.78 MMP2 (0.54) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6943312 0.74 PLA2G7 (0.43) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6946800 0.70 MMP2 (0.49) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL7977189 0.69 PLA2G7 (0.39) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6943165 0.67 MMP3 (0.46) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6948525 0.67 PLA2G7 (0.54) PLA2G7MMP2MMP3MMP9MMP13
SCHEMBL6948808 0.67 MMP3 (0.38) 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 1 patent. 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