SCHEMBL6947014

SCHEMBL6947014

CN1C(=O)N(CCCC(CS(=O)(=O)NCCCc2ccccc2)C(=O)NO)C(=O)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
MMP3 P08254 6/20 0.49
MMP13 P45452 2/20 0.49
MMP8 P22894 9/20 0.46
MMP1 P03956 4/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
ADAM17 P78536 1/20 0.37
TSHR P16473 1/20 0.36
PLA2G7 Q13093 1/20 0.36

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
SCHEMBL6948795 0.92 KMT2A (0.40) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6948807 0.88 MMP3 (0.49) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6954462 0.86 MMP3 (0.56) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6952757 0.83 MMP3 (0.48) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6952001 0.83 MMP13 (0.44) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6952255 0.79 MMP2 (0.41) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7424874 0.78 ALDH1A1 (0.41) MMP2MMP9MMP3MMP13MMP8
SCHEMBL7424880 0.78 POLB (0.39) MMP2MMP9MMP3MMP13MEN1
SCHEMBL6947010 0.77 MMP2 (0.45) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6948525 0.77 PLA2G7 (0.54) MMP2MMP9MMP3MMP13MMP1

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