SCHEMBL6948780

SCHEMBL6948780

CN1C(=O)N(CCCC(C(=O)NO)C(C)(C2CCCCC2)S(N)(=O)=O)C(=O)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.43
MMP3 P08254 9/20 0.43
MMP1 P03956 9/20 0.43
MMP2 P08253 8/20 0.43
MMP9 P14780 8/20 0.43
MMP8 P22894 5/20 0.43
ADAM17 P78536 3/20 0.43
MMP7 P09237 2/20 0.43
MMP14 P50281 2/20 0.43

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
SCHEMBL7077624 0.89 MMP2 (0.35) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6948783 0.76 MMP13 (0.47) MMP13MMP3MMP1MMP2MMP9
SCHEMBL7077621 0.69 MMP2 (0.40) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6948807 0.65 MMP3 (0.49) MMP13MMP3MMP1MMP2MMP9
SCHEMBL7217222 0.65 MMP13 (0.38) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6947010 0.64 MMP2 (0.45) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6943088 0.64 MMP2 (0.49) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6949235 0.64 MMP2 (0.43) MMP13MMP3MMP1MMP2MMP9
SCHEMBL1108466 0.64 MMP3 (0.84) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6947014 0.63 MMP2 (0.49) MMP13MMP3MMP1MMP2MMP9

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