SCHEMBL6621747

SCHEMBL6621747

O=C(N(O)CCN1CCOCC1)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.63
MMP13 P45452 10/20 0.63
MMP14 P50281 10/20 0.63
MMP2 P08253 9/20 0.63
MMP3 P08254 11/20 0.56
MMP8 P22894 10/20 0.56
MMP1 P03956 5/20 0.52
EPHX2 P34913 4/20 0.43
ADAM17 P78536 1/20 0.41
MMP7 P09237 1/20 0.40
MMP10 P09238 1/20 0.40

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
SCHEMBL7429722 0.84 MMP9 (0.72) MMP9MMP13MMP14MMP2MMP3
SCHEMBL7429708 0.79 MMP9 (0.79) MMP9MMP13MMP14MMP2MMP3
SCHEMBL5919254 0.78 MMP9 (1.00) MMP9MMP13MMP14MMP2MMP3
Hydrochloric Acid SCHEMBL6691931 0.77 MMP3 (0.60) MMP9MMP13MMP14MMP2MMP3
SCHEMBL7397587 0.77 MMP3 (0.67) MMP9MMP13MMP14MMP2MMP3
Hydrochloric Acid SCHEMBL7430433 0.76 MMP3 (0.56) MMP9MMP13MMP14MMP2MMP3
Hydrochloric Acid SCHEMBL6689267 0.76 MMP3 (0.66) MMP9MMP13MMP14MMP2MMP3
Hydrochloric Acid SCHEMBL6691936 0.76 MMP3 (0.63) MMP9MMP13MMP14MMP2MMP3
SCHEMBL6621752 0.76 MMP9 (0.62) MMP9MMP13MMP14MMP2MMP3
Hydrochloric Acid SCHEMBL6897571 0.75 MMP13 (0.56) MMP9MMP13MMP14MMP2MMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472244-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2004-11-03 EP disclosed
WO-2003045944-A1 AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-06-05 WO disclosed