SCHEMBL7426665

SCHEMBL7426665

COC(CNC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.61
MMP14 P50281 13/20 0.61
MMP9 P14780 12/20 0.61
MMP1 P03956 11/20 0.61
MMP8 P22894 10/20 0.61
MMP13 P45452 9/20 0.61
MMP10 P09238 5/20 0.51
KCNH2 Q12809 3/20 0.51
MMP2 P08253 4/20 0.49
MMP7 P09237 2/20 0.47
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
SCHEMBL7428741 0.91 MMP3 (0.66) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7431426 0.87 MMP3 (0.65) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7426240 0.85 MMP3 (0.62) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7422009 0.85 MMP3 (0.69) MMP3MMP14MMP9MMP1MMP8
Hydrochloric Acid SCHEMBL6694879 0.84 MMP3 (0.68) MMP3MMP14MMP9MMP1MMP8
Sulfuric Acid SCHEMBL7435751 0.83 MMP3 (0.67) MMP3MMP14MMP9MMP1MMP8
Hydrochloric Acid SCHEMBL7431735 0.79 MMP3 (0.70) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7427110 0.75 MMP3 (0.61) MMP3MMP14MMP9MMP1MMP8
SCHEMBL5919296 0.73 MMP3 (0.79) MMP3MMP14MMP9MMP1MMP8
SCHEMBL7396792 0.72 MMP3 (0.76) MMP3MMP14MMP9MMP1MMP8

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