SCHEMBL6656562

SCHEMBL6656562

CC#CCOc1ccc(S(=O)(=O)C(C(=O)O)C(C)C2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.66
MMP13 P45452 8/20 0.55
MMP9 P14780 7/20 0.55
MMP1 P03956 6/20 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
SCHEMBL6656852 0.88 ADAM17 (0.66) ADAM17MMP13MMP9MMP1
SCHEMBL6657607 0.86 ADAM17 (0.79) ADAM17MMP13MMP9MMP1
SCHEMBL3947817 0.80 ADAM17 (1.00) ADAM17MMP13MMP9MMP1
SCHEMBL6656577 0.79 ADAM17 (0.60) ADAM17MMP13MMP9MMP1
SCHEMBL7320579 0.79 ADAM17 (0.60) ADAM17MMP13MMP9MMP1
SCHEMBL6655838 0.74 ADAM17 (0.79) ADAM17MMP13MMP9MMP1
SCHEMBL6708417 0.74 ADAM17 (0.56) ADAM17MMP13MMP9MMP1
SCHEMBL7325352 0.74 ADAM17 (0.79) ADAM17MMP13MMP9MMP1
SCHEMBL6753890 0.73 ADAM17 (0.58) ADAM17MMP13MMP9MMP1
SCHEMBL6656569 0.72 ADAM17 (0.54) ADAM17MMP13MMP9MMP1

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