SCHEMBL7422182

SCHEMBL7422182

O=C(OCC1c2ccccc2-c2ccccc21)N(O)C(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 0.54
MMP9 P14780 10/20 0.54
MMP13 P45452 10/20 0.54
MMP14 P50281 9/20 0.54
MMP8 P22894 8/20 0.54
MMP2 P08253 8/20 0.54
MMP1 P03956 4/20 0.43
ADAM17 P78536 1/20 0.39
MMP10 P09238 10/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL7430094 0.92 MMP3 (0.54) MMP3MMP9MMP13MMP14MMP8
SCHEMBL7436568 0.79 MMP3 (0.63) MMP3MMP9MMP13MMP14MMP8
SCHEMBL7397587 0.77 MMP3 (0.67) MMP3MMP9MMP13MMP14MMP8
Hydrochloric Acid SCHEMBL6689267 0.76 MMP3 (0.66) MMP3MMP9MMP13MMP14MMP8
SCHEMBL6684290 0.75 MMP14 (0.62) MMP3MMP9MMP13MMP14MMP8
Hydrochloric Acid SCHEMBL7174677 0.73 MMP13 (0.56) MMP3MMP9MMP13MMP14MMP8
Hydrochloric Acid SCHEMBL6897571 0.73 MMP13 (0.56) MMP3MMP9MMP13MMP14MMP8
Hydrochloric Acid SCHEMBL6691936 0.72 MMP3 (0.63) MMP3MMP9MMP13MMP14MMP8
Hydrochloric Acid SCHEMBL6691931 0.72 MMP3 (0.60) MMP3MMP9MMP13MMP14MMP8
SCHEMBL5919515 0.71 MMP3 (1.00) MMP3MMP9MMP13MMP14MMP8

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-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed