SCHEMBL6650754

SCHEMBL6650754

CC#CCOc1ccc(S(=O)(=O)NC(SCCC)(C(=O)NO)C(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.63
MMP1 P03956 17/20 0.63
MMP9 P14780 17/20 0.63
MMP13 P45452 17/20 0.63
MMP14 P50281 2/20 0.52
MMP7 P09237 2/20 0.52
MMP8 P22894 2/20 0.52
ADAM10 O14672 1/20 0.52
MMP2 P08253 2/20 0.52

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
SCHEMBL6670657 0.88 ADAM17 (0.68) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6650747 0.80 ADAM17 (0.64) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL7397506 0.79 ADAM17 (0.76) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3940762 0.78 ADAM17 (1.00) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL4029281 0.77 ADAM17 (0.74) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL4033017 0.74 ADAM17 (0.70) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL4033024 0.73 ADAM17 (0.77) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL4033016 0.72 ADAM17 (0.58) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3938273 0.71 ADAM17 (1.00) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3949603 0.70 ADAM17 (0.72) ADAM17MMP1MMP9MMP13MMP14

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