SCHEMBL6947010

SCHEMBL6947010

CN1C(=O)N(CCCC(C(=O)NO)C(CCCc2ccccc2)S(N)(=O)=O)C(=O)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.45
MMP3 P08254 12/20 0.45
MMP9 P14780 9/20 0.45
MMP13 P45452 8/20 0.45
MMP1 P03956 11/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MMP8 P22894 9/20 0.38
TSHR P16473 1/20 0.37
PLA2G7 Q13093 1/20 0.36
ADAM17 P78536 3/20 0.36
MMP7 P09237 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL6948796 0.91 PLA2G7 (0.39) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6952001 0.82 MMP13 (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6947014 0.77 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7424880 0.75 POLB (0.39) MMP2MMP3MMP9MMP13PLA2G7
SCHEMBL6952757 0.75 MMP3 (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948795 0.72 KMT2A (0.40) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7424874 0.69 ALDH1A1 (0.41) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948807 0.69 MMP3 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6943088 0.69 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6948808 0.68 MMP3 (0.38) MMP2MMP3MMP9MMP13MMP1

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