SCHEMBL6628909

SCHEMBL6628909

CC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)c2ccc(OCCCN(C(=O)O)C(C)(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.71
MMP13 P45452 18/20 0.71
MMP9 P14780 17/20 0.71
MMP1 P03956 16/20 0.71
MMP7 P09237 2/20 0.48
MMP8 P22894 2/20 0.48
MMP2 P08253 1/20 0.48
ADAM10 O14672 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
SCHEMBL3939487 0.88 ADAM17 (0.78) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL4098466 0.87 ADAM17 (0.71) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL6627777 0.86 ADAM17 (0.70) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL3948365 0.86 ADAM17 (0.81) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL3940480 0.85 ADAM17 (0.69) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL4149331 0.85 ADAM17 (0.80) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL3940997 0.84 ADAM17 (0.82) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL3942404 0.84 ADAM17 (0.81) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL3938305 0.84 ADAM17 (0.77) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL3940092 0.84 ADAM17 (0.83) ADAM17MMP13MMP9MMP1MMP7

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 claimed