SCHEMBL8312446

SCHEMBL8312446

O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)s2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.40
MMP2 P08253 17/20 0.40
MMP8 P22894 15/20 0.40
MMP9 P14780 14/20 0.40
MMP3 P08254 12/20 0.40
MMP1 P03956 9/20 0.40
MMP14 P50281 6/20 0.40
ADAM17 P78536 1/20 0.39
MMP7 P09237 4/20 0.38

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
Hydrochloric Acid SCHEMBL6206309 0.99 MMP13 (0.40) MMP13MMP2MMP8MMP9MMP3
SCHEMBL6205249 0.93 HDAC1 (0.34) MMP13MMP2MMP8MMP9MMP3
SCHEMBL6206551 0.86 MMP13 (0.32) MMP13MMP2MMP8MMP9MMP3
SCHEMBL8312448 0.85 MMP13 (0.53) MMP13MMP2MMP8MMP9MMP3
SCHEMBL8313897 0.84 MMP2 (0.32) MMP13MMP2MMP8MMP9MMP3
Hydrochloric Acid SCHEMBL6206150 0.84 MMP13 (0.52) MMP13MMP2MMP8MMP9MMP3
Hydrochloric Acid SCHEMBL5908638 0.83 MMP2 (0.50) MMP13MMP2MMP8MMP9MMP3
Hydrochloric Acid SCHEMBL6208482 0.80 MMP2 (0.48) MMP13MMP2MMP8MMP9MMP3
SCHEMBL8316637 0.79 ADAMTS5 (0.36) MMP13MMP2MMP8MMP9MMP3
SCHEMBL8321170 0.77 MMP1 (0.31) MMP13MMP2MMP8MMP9MMP3

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