SCHEMBL6565510

SCHEMBL6565510

COc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(Cc3cccc(OC)c3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.73
MMP9 P14780 17/20 0.73
MMP13 P45452 17/20 0.73
ADAM17 P78536 17/20 0.73
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KCNH2 Q12809 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL6568497 0.91 MMP1 (0.71) MMP1MMP9MMP13ADAM17
SCHEMBL6567143 0.90 MMP9 (0.71) MMP1MMP9MMP13ADAM17
SCHEMBL6567145 0.86 MMP1 (0.73) MMP1MMP9MMP13ADAM17
SCHEMBL6568599 0.85 MMP1 (0.74) MMP1MMP9MMP13ADAM17
SCHEMBL6567133 0.84 MMP1 (1.00) MMP1MMP9MMP13ADAM17
SCHEMBL6568465 0.84 MMP9 (0.69) MMP1MMP9MMP13ADAM17
SCHEMBL6567581 0.83 MMP9 (0.72) MMP1MMP9MMP13ADAM17
SCHEMBL6568639 0.83 MMP9 (0.75) MMP1MMP9MMP13ADAM17
SCHEMBL6566951 0.82 MMP9 (0.72) MMP1MMP9MMP13ADAM17
SCHEMBL6568474 0.82 MMP1 (0.73) MMP1MMP9MMP13ADAM17

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