SCHEMBL8322994

SCHEMBL8322994

O=C(NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.83
MMP2 P08253 19/20 0.83
MMP8 P22894 18/20 0.83
MMP3 P08254 5/20 0.83
MMP9 P14780 12/20 0.79
MMP1 P03956 6/20 0.70
ADAM17 P78536 1/20 0.70
MMP14 P50281 3/20 0.61
MMP7 P09237 1/20 0.55

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
SCHEMBL8332783 0.91 MMP13 (0.80) MMP13MMP2MMP8MMP3MMP9
SCHEMBL6363229 0.91 MMP13 (1.00) MMP13MMP2MMP8MMP3MMP9
SCHEMBL8334439 0.87 MMP13 (0.69) MMP13MMP2MMP8MMP3MMP9
SCHEMBL8334433 0.87 MMP13 (0.80) MMP13MMP2MMP8MMP3MMP9
SCHEMBL8321368 0.83 MMP13 (0.76) MMP13MMP2MMP8MMP3MMP9
SCHEMBL8326831 0.82 MMP13 (0.75) MMP13MMP2MMP8MMP3MMP9
SCHEMBL14340694 0.81 MMP13 (0.76) MMP13MMP2MMP8MMP3MMP9
SCHEMBL8326911 0.81 MMP13 (1.00) MMP13MMP2MMP8MMP3MMP9
SCHEMBL14340672 0.81 MMP13 (0.67) MMP13MMP2MMP8MMP3MMP9
SCHEMBL8332819 0.81 MMP13 (0.61) MMP13MMP2MMP8MMP3MMP9

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
WO-2004043943-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-05-27 WO disclosed