SCHEMBL8330607

SCHEMBL8330607

O=C(NO)C1(S(=O)(=O)c2ccc(OCCOCc3ccccc3)cc2)CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.69
MMP9 P14780 11/20 0.69
MMP1 P03956 9/20 0.69
ADAM17 P78536 3/20 0.69
MMP2 P08253 15/20 0.67
MMP8 P22894 12/20 0.67
MMP3 P08254 5/20 0.67
MMP14 P50281 3/20 0.63
MMP7 P09237 1/20 0.57
MMP10 P09238 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
SCHEMBL8334433 0.91 MMP13 (0.80) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8334295 0.89 MMP13 (0.64) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8323122 0.89 MMP8 (0.72) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL5919459 0.88 MMP1 (0.80) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8328984 0.87 MMP13 (0.66) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8328642 0.87 MMP13 (0.60) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8322254 0.84 MMP13 (0.76) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL5908643 0.83 MMP13 (0.77) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL8324119 0.83 MMP13 (0.70) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL5919305 0.82 MMP13 (0.85) MMP13MMP9MMP1ADAM17MMP2

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