SCHEMBL6932129

SCHEMBL6932129

COc1ccc(S(=O)(=O)C2CCCC2)cc1.O=C(O)NO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.59
MMP2 P08253 6/20 0.59
MMP1 P03956 13/20 0.57
MMP13 P45452 9/20 0.57
MMP8 P22894 2/20 0.57
MMP3 P08254 8/20 0.52
MMP7 P09237 3/20 0.52
ADAM17 P78536 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ELOVL6 Q9H5J4 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL27529540 0.86 MMP13 (0.68) MMP9MMP2MMP1MMP13MMP8
SCHEMBL8438391 0.85 MMP13 (0.74) MMP9MMP2MMP1MMP13MMP8
SCHEMBL1188309 0.81 MMP13 (0.73) MMP9MMP2MMP1MMP13MMP8
SCHEMBL13043174 0.77 MMP13 (0.63) MMP9MMP2MMP1MMP13MMP8
SCHEMBL4771067 0.77 MMP13 (0.52) MMP9MMP2MMP1MMP13MMP8
SCHEMBL7308413 0.77 MMP9 (0.95) MMP9MMP2MMP1MMP13MMP8
SCHEMBL7308416 0.77 MMP9 (0.95) MMP9MMP2MMP1MMP13MMP8
SCHEMBL17966724 0.75 MMP13 (0.56) MMP9MMP2MMP1MMP13MMP8
SCHEMBL8525263 0.74 MMP9 (0.70) MMP9MMP2MMP1MMP13MMP8
SCHEMBL27432261 0.74 MMP9 (0.70) MMP9MMP2MMP1MMP13MMP8

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-0970046-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) 2003-12-10 EP claimed