SCHEMBL6660993

SCHEMBL6660993

CC#CCOc1ccc(S(=O)(=O)C2CC(OC(C)=O)CCN2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.49
MMP13 P45452 9/20 0.49
MMP1 P03956 4/20 0.49
MMP9 P14780 3/20 0.49
MMP2 P08253 2/20 0.43
MMP14 P50281 1/20 0.43
MMP8 P22894 2/20 0.41

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
SCHEMBL6657000 0.84 ADAM17 (0.49) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL6934597 0.76 ADAM17 (0.50) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7313611 0.74 ADAM17 (0.65) ADAM17MMP13MMP1MMP9MMP2
Hydroxyamine SCHEMBL7463488 0.71 S1PR5 (0.52) ADAM17MMP13MMP1MMP9
SCHEMBL6865929 0.71 ADAM17 (0.53) ADAM17MMP13MMP1MMP9
Hydroxyamine SCHEMBL6861859 0.71 ADAM17 (0.52) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7512543 0.71 TAS2R14 (0.50) ADAM17MMP13MMP1MMP9
SCHEMBL6757626 0.70 ADAM17 (0.47) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7580801 0.70 MMP9 (0.48) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7511310 0.69 MMP1 (0.50) ADAM17MMP13MMP1MMP9MMP2

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 3 patents. 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
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed