SCHEMBL6568474

SCHEMBL6568474

COc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(CCCc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.73
MMP9 P14780 15/20 0.73
MMP13 P45452 15/20 0.73
ADAM17 P78536 10/20 0.73
SIGMAR1 Q99720 2/20 0.51
MMP2 P08253 3/20 0.48
MMP3 P08254 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48

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
SCHEMBL6567581 0.94 MMP9 (0.72) MMP1MMP9MMP13ADAM17SIGMAR1
SCHEMBL6566951 0.89 MMP9 (0.72) MMP1MMP9MMP13ADAM17
SCHEMBL6567230 0.89 MMP13 (0.73) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6568497 0.88 MMP1 (0.71) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6568501 0.87 MMP9 (0.71) MMP1MMP9MMP13ADAM17
SCHEMBL6567129 0.86 MMP9 (0.73) MMP1MMP9MMP13ADAM17
SCHEMBL6566751 0.85 MMP9 (1.00) MMP1MMP9MMP13ADAM17
SCHEMBL6567143 0.83 MMP9 (0.71) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6568465 0.83 MMP9 (0.69) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6566736 0.82 MMP9 (0.81) MMP1MMP9MMP13ADAM17SIGMAR1

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
EP-0973512-B1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-04-07 EP claimed