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SCHEMBL6567129

SCHEMBL6567129

COc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(CCOc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 17/20 0.73
▸ MMP13 P45452 17/20 0.73
▸ MMP1 P03956 15/20 0.73
▸ ADAM17 P78536 13/20 0.73
▸ KCNA5 P22460 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ DRD2 P14416 1/20 0.51

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
SCHEMBL6567230 0.95 MMP13 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6568457 0.92 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6567200 0.89 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6565370 0.87 MMP1 (0.77) MMP9MMP13MMP1ADAM17
SCHEMBL6567581 0.87 MMP9 (0.72) MMP9MMP13MMP1ADAM17
SCHEMBL6568474 0.86 MMP1 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6568497 0.85 MMP1 (0.71) MMP9MMP13MMP1ADAM17
SCHEMBL6567078 0.84 MMP9 (1.00) MMP9MMP13MMP1ADAM17
SCHEMBL6566951 0.84 MMP9 (0.72) MMP9MMP13MMP1ADAM17
SCHEMBL6568501 0.84 MMP9 (0.71) MMP9MMP13MMP1ADAM17

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