SCHEMBL8334433

SCHEMBL8334433

O=C(NO)C1(S(=O)(=O)c2ccc(OCCOc3ccccc3)cc2)CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.80
MMP2 P08253 16/20 0.80
MMP9 P14780 13/20 0.80
MMP8 P22894 13/20 0.80
MMP1 P03956 10/20 0.80
MMP3 P08254 5/20 0.80
ADAM17 P78536 4/20 0.79
MMP14 P50281 4/20 0.72
MMP7 P09237 1/20 0.65

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
SCHEMBL8321368 0.91 MMP13 (0.76) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8330607 0.91 MMP13 (0.69) MMP13MMP2MMP9MMP8MMP1
SCHEMBL5919664 0.89 MMP13 (1.00) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8322254 0.89 MMP13 (0.76) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8334450 0.88 MMP13 (0.69) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8323770 0.88 MMP13 (0.69) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8330593 0.88 MMP13 (0.78) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8330591 0.87 MMP13 (0.77) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8321375 0.87 MMP13 (0.70) MMP13MMP2MMP9MMP8MMP1
SCHEMBL8322994 0.87 MMP13 (0.83) MMP13MMP2MMP9MMP8MMP1

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