SCHEMBL6656469

SCHEMBL6656469

CC#CCOc1ccc(SOC(=O)CC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.56
MMP9 P14780 12/20 0.47
MMP13 P45452 12/20 0.47
MMP1 P03956 11/20 0.46
ADAM10 O14672 1/20 0.44
MMP7 P09237 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL6655286 0.80 ADAM17 (0.51) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL6656959 0.79 ADAM17 (0.52) ADAM17MMP9MMP13MMP1
SCHEMBL6656714 0.79 ADAM17 (0.45) ADAM17MMP9MMP13MMP1MMP7
SCHEMBL6662479 0.78 ADAM17 (0.44) ADAM17MMP9MMP13
SCHEMBL6706950 0.77 ADAM17 (0.51) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL6659307 0.77 ADAM17 (0.53) ADAM17MMP9MMP13MMP1MMP8
SCHEMBL6656661 0.75 ADAM17 (0.44) ADAM17MMP9MMP13MMP1
SCHEMBL6654871 0.74 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP14
SCHEMBL6660841 0.74 MAOB (0.43) ADAM17MMP9MMP13
SCHEMBL6657415 0.74 ADAM17 (0.63) ADAM17MMP9MMP13MMP1ADAM10

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