SCHEMBL6567501

SCHEMBL6567501

CCCCOc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.73
MMP13 P45452 20/20 0.73
MMP1 P03956 19/20 0.73
ADAM17 P78536 17/20 0.73
ADAMTS4 O75173 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52

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
SCHEMBL6568639 0.92 MMP9 (0.75) MMP9MMP13MMP1ADAM17
SCHEMBL6567141 0.91 MMP9 (0.75) MMP9MMP13MMP1ADAM17
SCHEMBL6568457 0.90 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6567200 0.90 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL6568497 0.88 MMP1 (0.71) MMP9MMP13MMP1ADAM17ADAMTS4
SCHEMBL6264202 0.86 ADAM17 (0.75) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6565576 0.85 MMP9 (1.00) MMP9MMP13MMP1ADAM17ADAMTS4
SCHEMBL6567143 0.83 MMP9 (0.71) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6567230 0.83 MMP13 (0.73) MMP9MMP13MMP1ADAM17MMP2
SCHEMBL6565390 0.82 MMP9 (0.81) 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