SCHEMBL8316976

SCHEMBL8316976

O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)CF)cc3)s2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 16/20 0.53
MMP9 P14780 15/20 0.53
MMP3 P08254 12/20 0.53
MMP1 P03956 11/20 0.53
MMP14 P50281 9/20 0.53
MMP13 P45452 19/20 0.48
MMP2 P08253 17/20 0.48
MMP7 P09237 2/20 0.46
ADAM17 P78536 1/20 0.45

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
SCHEMBL6697733 0.88 MMP8 (0.54) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6206734 0.81 MMP13 (0.70) MMP8MMP9MMP3MMP1MMP14
SCHEMBL8321743 0.81 MMP13 (0.57) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6227180 0.77 MMP9 (0.40) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6231646 0.73 MMP9 (0.38) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6230179 0.73 MMP8 (0.39) MMP8MMP9MMP3MMP1MMP14
SCHEMBL8312448 0.72 MMP13 (0.53) MMP8MMP9MMP3MMP1MMP14
Hydrochloric Acid SCHEMBL6206150 0.72 MMP13 (0.52) MMP8MMP9MMP3MMP1MMP14
SCHEMBL5908555 0.71 MMP9 (0.72) MMP8MMP9MMP3MMP1MMP14
SCHEMBL8312446 0.70 MMP13 (0.40) MMP8MMP9MMP3MMP1MMP14

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-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed