SCHEMBL8316565

SCHEMBL8316565

O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)C(F)F)cc3)nc2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 16/20 0.60
MMP9 P14780 15/20 0.60
MMP3 P08254 12/20 0.60
MMP1 P03956 10/20 0.60
MMP14 P50281 9/20 0.60
MMP13 P45452 19/20 0.57
MMP2 P08253 17/20 0.57
MMP7 P09237 3/20 0.57
ADAM17 P78536 1/20 0.51
MMP10 P09238 1/20 0.50
MMP12 P39900 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL6226575 0.97 MMP8 (0.56) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6226579 0.89 MMP8 (0.47) MMP8MMP9MMP3MMP1MMP14
SCHEMBL5908555 0.89 MMP9 (0.72) MMP8MMP9MMP3MMP1MMP14
Trifluoroacetic Acid SCHEMBL6228587 0.88 MMP8 (0.44) MMP8MMP9MMP3MMP1MMP14
SCHEMBL8316186 0.86 MMP13 (0.58) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6206691 0.86 MMP13 (0.42) MMP8MMP9MMP3MMP1MMP14
SCHEMBL6228589 0.86 MMP13 (0.42) MMP8MMP9MMP3MMP1MMP14
Trifluoroacetic Acid SCHEMBL6207174 0.83 MMP13 (0.55) MMP8MMP9MMP3MMP1MMP14
SCHEMBL8314092 0.81 MMP2 (0.63) MMP8MMP9MMP3MMP1MMP14
SCHEMBL8316685 0.81 MMP2 (0.50) 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