SCHEMBL7394265

SCHEMBL7394265

CC#CCOc1ccc(S(=O)(=O)CCNC(C(=O)OC)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.56
MMP13 P45452 16/20 0.56
MMP1 P03956 15/20 0.56
MMP9 P14780 15/20 0.56
MMP8 P22894 3/20 0.53
MMP2 P08253 3/20 0.53
MMP7 P09237 2/20 0.50
MMP14 P50281 2/20 0.50
ADAM10 O14672 1/20 0.50

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
SCHEMBL6773805 0.90 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL6500722 0.82 ADAM17 (0.77) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL7394268 0.80 ADAM17 (0.60) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL6501936 0.80 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL6499431 0.79 ADAM17 (0.59) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL6501939 0.75 ADAM17 (0.77) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL6506135 0.75 ADAM17 (0.76) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL7398933 0.74 ADAM17 (0.53) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL7232944 0.74 ADAM17 (0.58) ADAM17MMP13MMP1MMP9MMP8
SCHEMBL6508748 0.74 MMP9 (0.79) ADAM17MMP13MMP1MMP9MMP8

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
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed