SCHEMBL6659307

SCHEMBL6659307

CC#CCOc1ccc(SOC(=O)CC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.53
MMP13 P45452 10/20 0.53
MMP9 P14780 3/20 0.53
MMP2 P08253 3/20 0.41
POLB P06746 1/20 0.39
MMP8 P22894 1/20 0.39
MMP1 P03956 2/20 0.38

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
SCHEMBL6656469 0.77 ADAM17 (0.56) ADAM17MMP13MMP9MMP8MMP1
SCHEMBL6655286 0.75 ADAM17 (0.51) ADAM17MMP13MMP9MMP2MMP1
SCHEMBL6656959 0.74 ADAM17 (0.52) ADAM17MMP13MMP9MMP1
SCHEMBL6656714 0.74 ADAM17 (0.45) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL6662479 0.73 ADAM17 (0.44) ADAM17MMP13MMP9POLB
SCHEMBL6658737 0.72 ADAM17 (0.78) ADAM17MMP13MMP9MMP2MMP1
SCHEMBL6656661 0.70 ADAM17 (0.44) ADAM17MMP13MMP9POLBMMP1
SCHEMBL6654871 0.70 ADAM17 (0.43) ADAM17MMP13MMP9MMP2MMP1
SCHEMBL3937230 0.70 ADAM17 (1.00) ADAM17MMP13MMP9MMP1
SCHEMBL6660841 0.70 MAOB (0.43) ADAM17MMP13MMP9

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