SCHEMBL6654744

SCHEMBL6654744

CC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)C2CCS(O)(O)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.80
MMP13 P45452 11/20 0.80
MMP9 P14780 10/20 0.75
MMP1 P03956 8/20 0.60
ADAM10 O14672 1/20 0.52
MMP7 P09237 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 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
SCHEMBL3941409 0.92 ADAM17 (0.80) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6659884 0.89 ADAM17 (1.00) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3947817 0.87 ADAM17 (1.00) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3949526 0.87 ADAM17 (1.00) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3938344 0.87 ADAM17 (1.00) ADAM17MMP13MMP9MMP1
SCHEMBL6657039 0.86 ADAM17 (0.80) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3940267 0.85 ADAM17 (1.00) ADAM17MMP13MMP9MMP1MMP14
SCHEMBL7422448 0.81 ADAM17 (0.78) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6656781 0.81 ADAM17 (0.80) ADAM17MMP13MMP9MMP1MMP14
SCHEMBL6654489 0.81 ADAM17 (1.00) ADAM17MMP13MMP9MMP1MMP14

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 2 patents. 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 claimed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed