SCHEMBL6262014

SCHEMBL6262014

C#CCOc1ccc(S(=O)(=O)C2(OC(=O)NO)CCN(Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.64
MMP1 P03956 18/20 0.64
MMP9 P14780 18/20 0.64
MMP13 P45452 18/20 0.64
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP8 P22894 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
SCHEMBL6267659 0.92 ADAM17 (0.75) ADAM17MMP1MMP9MMP13
SCHEMBL6266026 0.92 ADAM17 (0.65) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6567143 0.91 MMP9 (0.71) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6261484 0.90 ADAM17 (0.76) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6568639 0.87 MMP9 (0.75) ADAM17MMP1MMP9MMP13
SCHEMBL6567145 0.87 MMP1 (0.73) ADAM17MMP1MMP9MMP13
SCHEMBL3942419 0.86 ADAM17 (0.84) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6568599 0.86 MMP1 (0.74) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6568497 0.86 MMP1 (0.71) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6565370 0.84 MMP1 (0.77) ADAM17MMP1MMP9MMP13

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-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP claimed