SCHEMBL8334607

SCHEMBL8334607

O=C(NO)C1(S(=O)(=O)c2ccc(OC3CCOCC3)cc2)CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.67
MMP2 P08253 16/20 0.67
MMP9 P14780 14/20 0.67
MMP1 P03956 13/20 0.67
MMP14 P50281 13/20 0.67
MMP8 P22894 12/20 0.67
MMP3 P08254 10/20 0.67
MMP7 P09237 1/20 0.66
ADAM17 P78536 1/20 0.64

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
SCHEMBL5919453 0.91 MMP13 (0.62) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919537 0.87 MMP13 (0.65) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919522 0.84 MMP13 (0.61) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919664 0.81 MMP13 (1.00) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919366 0.81 MMP13 (1.00) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919573 0.80 MMP13 (0.80) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919493 0.80 MMP13 (0.80) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919461 0.80 MMP1 (1.00) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919456 0.79 MMP13 (0.61) MMP13MMP2MMP9MMP1MMP14
SCHEMBL5919554 0.78 MMP13 (0.67) MMP13MMP2MMP9MMP1MMP14

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