SCHEMBL7229767

SCHEMBL7229767

CCC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3c(F)cccc3C(F)(F)F)CC2C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.53
ADAM17 P78536 20/20 0.53
MMP1 P03956 19/20 0.53
MMP9 P14780 15/20 0.53

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
SCHEMBL6611318 0.93 MMP1 (0.53) MMP13ADAM17MMP1MMP9
SCHEMBL6607783 0.89 MMP1 (0.58) MMP13ADAM17MMP1MMP9
SCHEMBL6642443 0.86 MMP1 (0.49) MMP13ADAM17MMP1MMP9
SCHEMBL6611269 0.86 MMP13 (0.62) MMP13ADAM17MMP1MMP9
SCHEMBL6608393 0.85 MMP13 (0.54) MMP13ADAM17MMP1MMP9
SCHEMBL6616179 0.85 MMP1 (0.56) MMP13ADAM17MMP1MMP9
SCHEMBL6612721 0.85 MMP13 (0.72) MMP13ADAM17MMP1MMP9
SCHEMBL6615364 0.83 MMP13 (0.60) MMP13ADAM17MMP1MMP9
SCHEMBL6615110 0.82 MMP13 (0.58) MMP13ADAM17MMP1MMP9
SCHEMBL6612321 0.82 MMP13 (0.55) MMP13ADAM17MMP1MMP9

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
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed