SCHEMBL6268293

SCHEMBL6268293

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

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.82
MMP13 P45452 15/20 0.82
MMP1 P03956 10/20 0.82
MMP9 P14780 10/20 0.82

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
Hydrochloric Acid SCHEMBL3946208 0.99 ADAM17 (0.81) ADAM17MMP13MMP1MMP9
Hydrochloric Acid SCHEMBL3944267 0.91 ADAM17 (0.85) ADAM17MMP13MMP1MMP9
SCHEMBL4029689 0.90 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL4023432 0.90 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6265558 0.90 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6265272 0.90 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL4029908 0.89 ADAM17 (0.85) ADAM17MMP13MMP1MMP9
SCHEMBL6756175 0.89 ADAM17 (0.83) ADAM17MMP13MMP1MMP9
SCHEMBL6269089 0.87 ADAM17 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL3939692 0.85 ADAM17 (0.80) ADAM17MMP13MMP1MMP9

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