SCHEMBL6566951

SCHEMBL6566951

COc1ccc(CCN2CCC(OC(=O)NO)(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.72
MMP13 P45452 20/20 0.72
MMP1 P03956 19/20 0.72
ADAM17 P78536 14/20 0.67

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 0.95 MMP9 (0.72) MMP9MMP13MMP1ADAM17
SCHEMBL6567143 0.89 MMP9 (0.71) MMP9MMP13MMP1ADAM17
SCHEMBL6568474 0.89 MMP1 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6568501 0.88 MMP9 (0.71) MMP9MMP13MMP1ADAM17
SCHEMBL6568465 0.87 MMP9 (0.69) MMP9MMP13MMP1ADAM17
SCHEMBL6567145 0.86 MMP1 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6567225 0.86 MMP9 (0.67) MMP9MMP13MMP1ADAM17
SCHEMBL6568599 0.85 MMP1 (0.74) MMP9MMP13MMP1ADAM17
SCHEMBL6568497 0.84 MMP1 (0.71) MMP9MMP13MMP1ADAM17
SCHEMBL6567129 0.84 MMP9 (0.73) 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