SCHEMBL6948783

SCHEMBL6948783

CN1C(=O)N(CCCC(CS(=O)(=O)NCC2CCCCC2)C(=O)NO)C(=O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.47
MMP3 P08254 13/20 0.47
MMP1 P03956 13/20 0.47
MMP2 P08253 12/20 0.47
MMP8 P22894 9/20 0.47
MMP9 P14780 8/20 0.47
ADAM17 P78536 3/20 0.47
MMP7 P09237 2/20 0.47
MMP14 P50281 2/20 0.47
MDM2 Q00987 2/20 0.32
BMP1 P13497 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7077621 0.90 MMP2 (0.40) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6948807 0.79 MMP3 (0.49) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6947014 0.76 MMP2 (0.49) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6948780 0.76 MMP13 (0.43) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6954462 0.75 MMP3 (0.56) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6946816 0.70 MMP13 (0.40) MMP13MMP3MMP1MMP2MMP8
SCHEMBL7077674 0.69 MMP13 (0.44) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6952255 0.69 MMP2 (0.41) MMP13MMP3MMP1MMP2MMP9
SCHEMBL6949235 0.69 MMP2 (0.43) MMP13MMP3MMP1MMP2MMP8
SCHEMBL6943088 0.69 MMP2 (0.49) MMP13MMP3MMP1MMP2MMP8

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