SCHEMBL6656852

SCHEMBL6656852

CC#CCOc1ccc(S(=O)(=O)C(C(=O)O)C(C)C2CCSCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.66
MMP13 P45452 9/20 0.55
MMP1 P03956 7/20 0.55
MMP9 P14780 7/20 0.55

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
SCHEMBL6656562 0.88 ADAM17 (0.66) ADAM17MMP13MMP1MMP9
SCHEMBL6655838 0.86 ADAM17 (0.79) ADAM17MMP13MMP1MMP9
SCHEMBL3949526 0.80 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6656858 0.79 ADAM17 (0.60) ADAM17MMP13MMP1MMP9
SCHEMBL6657607 0.74 ADAM17 (0.79) ADAM17MMP13MMP1MMP9
SCHEMBL7325352 0.74 ADAM17 (0.79) ADAM17MMP13MMP1MMP9
SCHEMBL6656854 0.72 ADAM17 (0.54) ADAM17MMP13MMP1MMP9
SCHEMBL6265979 0.72 ADAM17 (0.60) ADAM17MMP13MMP1MMP9
SCHEMBL6782213 0.71 ADAM17 (0.82) ADAM17MMP13MMP1MMP9
SCHEMBL3943916 0.71 ADAM17 (1.00) ADAM17MMP13MMP1MMP9

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-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed