SCHEMBL6948807

SCHEMBL6948807

CN1C(=O)N(CCCC(CS(=O)(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)NO)C(=O)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.49
MMP2 P08253 10/20 0.49
MMP9 P14780 10/20 0.49
MMP13 P45452 9/20 0.49
MMP1 P03956 9/20 0.38
MMP8 P22894 8/20 0.38
HDAC7 Q8WUI4 5/20 0.37
HDAC1 Q13547 4/20 0.37
PLA2G7 Q13093 1/20 0.36
ADAM17 P78536 3/20 0.35
LMNA P02545 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MMP7 P09237 1/20 0.33
MMP14 P50281 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
SCHEMBL6952255 0.92 MMP2 (0.41) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6947014 0.88 MMP2 (0.49) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6954462 0.86 MMP3 (0.56) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6948795 0.79 KMT2A (0.40) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6948783 0.79 MMP13 (0.47) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6943088 0.78 MMP2 (0.49) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6948525 0.78 PLA2G7 (0.54) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6952757 0.76 MMP3 (0.48) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6949235 0.72 MMP2 (0.43) MMP3MMP2MMP9MMP13MMP1
SCHEMBL6945478 0.72 MMP2 (0.42) MMP3MMP2MMP9MMP13MMP1

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