SCHEMBL6567230

SCHEMBL6567230

COc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(CCCOc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.73
MMP9 P14780 17/20 0.73
MMP1 P03956 15/20 0.73
ADAM17 P78536 12/20 0.66
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL6567129 0.95 MMP9 (0.73) MMP13MMP9MMP1ADAM17
SCHEMBL6567200 0.93 MMP9 (0.73) MMP13MMP9MMP1ADAM17
SCHEMBL6568457 0.90 MMP9 (0.73) MMP13MMP9MMP1ADAM17
SCHEMBL6568474 0.89 MMP1 (0.73) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6568501 0.87 MMP9 (0.71) MMP13MMP9MMP1ADAM17
SCHEMBL6567581 0.87 MMP9 (0.72) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6565393 0.85 MMP9 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL6568497 0.84 MMP1 (0.71) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6568639 0.84 MMP9 (0.75) MMP13MMP9MMP1ADAM17
SCHEMBL6566951 0.83 MMP9 (0.72) MMP13MMP9MMP1ADAM17

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