SCHEMBL6621752

SCHEMBL6621752

O=C(NCC(O)N1CCOCC1)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.62
MMP13 P45452 15/20 0.62
MMP2 P08253 14/20 0.62
MMP3 P08254 14/20 0.62
MMP14 P50281 13/20 0.62
MMP8 P22894 13/20 0.62
MMP1 P03956 9/20 0.58
ADAM17 P78536 1/20 0.46
MMP10 P09238 2/20 0.43
KCNH2 Q12809 1/20 0.43

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 0.85 MMP9 (0.72) MMP9MMP13MMP2MMP3MMP14
SCHEMBL5919515 0.78 MMP3 (1.00) MMP9MMP13MMP2MMP3MMP14
SCHEMBL6621747 0.76 MMP9 (0.63) MMP9MMP13MMP2MMP3MMP14
SCHEMBL5919254 0.75 MMP9 (1.00) MMP9MMP13MMP2MMP3MMP14
SCHEMBL6464999 0.74 MMP13 (1.00) MMP9MMP13MMP2MMP3MMP14
SCHEMBL7422009 0.74 MMP3 (0.69) MMP9MMP13MMP2MMP3MMP14
Hydrochloric Acid SCHEMBL6691933 0.73 MMP3 (0.68) MMP9MMP13MMP2MMP3MMP14
Hydrochloric Acid SCHEMBL6694879 0.73 MMP3 (0.68) MMP9MMP13MMP2MMP3MMP14
Sulfuric Acid SCHEMBL7435751 0.72 MMP3 (0.67) MMP9MMP13MMP2MMP3MMP14
SCHEMBL6685408 0.72 MMP13 (0.66) MMP9MMP13MMP2MMP3MMP14

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