SCHEMBL7299098

SCHEMBL7299098

CN1CCC(CC(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 0.73
MMP13 P45452 15/20 0.68
MMP9 P14780 13/20 0.68
ADAM17 P78536 9/20 0.68
MMP14 P50281 5/20 0.51
MMP3 P08254 5/20 0.51
MMP2 P08253 5/20 0.51
MMP8 P22894 4/20 0.51
MMP7 P09237 3/20 0.51
ADAMTS4 O75173 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
MMP10 P09238 2/20 0.49
ABCB11 O95342 1/20 0.45

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
SCHEMBL7303077 0.90 MMP1 (0.72) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7307395 0.89 MMP1 (0.59) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7302817 0.85 MMP1 (0.67) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL4314591 0.84 MMP1 (1.00) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7301493 0.84 MMP1 (0.76) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7406031 0.81 MMP13 (1.00) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7301736 0.80 MMP1 (0.70) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7304996 0.79 MMP1 (0.57) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7311787 0.78 MMP1 (0.56) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7307783 0.77 MMP1 (0.66) MMP1MMP13MMP9ADAM17MMP14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed