SCHEMBL8013554

SCHEMBL8013554

O=C(NO)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.74
MMP9 P14780 7/20 0.74
MMP8 P22894 6/20 0.74
MMP1 P03956 9/20 0.71
MMP3 P08254 8/20 0.71
MMP13 P45452 5/20 0.51
ADAM17 P78536 2/20 0.50
ADAMTS4 O75173 2/20 0.50
MMP14 P50281 2/20 0.50
ADAMTS5 Q9UNA0 2/20 0.50
ADAM33 Q9BZ11 2/20 0.48
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7077830 0.89 MMP2 (0.69) MMP2MMP9MMP8MMP1MMP3
SCHEMBL8002828 0.88 MMP2 (0.57) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7079905 0.81 MMP2 (0.59) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7074188 0.81 MMP2 (0.52) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7133554 0.79 MMP2 (0.77) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7073432 0.77 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7074125 0.77 MMP2 (0.65) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7422537 0.77 MMP2 (0.56) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7534733 0.76 MMP2 (0.58) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7077710 0.76 MMP2 (0.70) MMP2MMP9MMP8MMP1MMP3

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
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed