SCHEMBL6625873

SCHEMBL6625873

CC#CCOc1ccc(S(=O)(=O)CNC(C(=O)NO)C(C)(C)SCCN2CCCC2C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.46
MMP13 P45452 15/20 0.46
MMP1 P03956 10/20 0.46
MMP9 P14780 4/20 0.46
MMP2 P08253 2/20 0.42

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
SCHEMBL4033016 0.81 ADAM17 (0.58) ADAM17MMP13MMP1MMP9
SCHEMBL4024000 0.80 ADAM17 (0.60) ADAM17MMP13MMP1MMP9
SCHEMBL4023877 0.78 ADAM17 (0.62) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL4030079 0.76 ADAM17 (0.66) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL4027905 0.73 ADAM17 (0.81) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL7249318 0.71 ADAM17 (0.63) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL4029281 0.70 ADAM17 (0.74) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3941410 0.69 ADAM17 (0.71) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3942770 0.69 ADAM17 (0.63) ADAM17MMP13MMP1MMP9MMP2
SCHEMBL3938817 0.68 ADAM17 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed