SCHEMBL7302817

SCHEMBL7302817

O=C(CC1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(CC2CC2)CC1)NO

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.67
MMP13 P45452 15/20 0.54
MMP9 P14780 14/20 0.54
ADAM17 P78536 9/20 0.54
MMP2 P08253 9/20 0.52
MMP14 P50281 7/20 0.52
MMP3 P08254 6/20 0.52
MMP8 P22894 6/20 0.52
MMP7 P09237 3/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
ABCB11 O95342 1/20 0.42
MMP10 P09238 1/20 0.42

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
SCHEMBL7299271 0.91 MMP1 (0.66) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7302735 0.90 MMP1 (0.54) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7301752 0.88 MMP1 (0.52) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7299098 0.85 MMP1 (0.73) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL4314591 0.80 MMP1 (1.00) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7301493 0.80 MMP1 (0.76) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7308944 0.79 MMP1 (0.51) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7310514 0.79 MMP1 (0.49) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7313624 0.79 MMP1 (0.41) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7303679 0.78 MMP13 (0.67) MMP1MMP13MMP9ADAM17MMP2

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
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP claimed
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
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed