SCHEMBL7299271

SCHEMBL7299271

O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC2CC2)CC1)NO

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.66
MMP13 P45452 11/20 0.48
MMP9 P14780 9/20 0.48
MMP2 P08253 6/20 0.48
ADAM17 P78536 6/20 0.48
MMP3 P08254 5/20 0.48
MMP14 P50281 4/20 0.48
MMP8 P22894 3/20 0.48
ADAMTS4 O75173 3/20 0.48
ADAMTS5 Q9UNA0 3/20 0.48
MMP7 P09237 1/20 0.48
MEP1B Q16820 1/20 0.45
KDM2B Q8NHM5 3/20 0.44

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
SCHEMBL7302735 0.91 MMP1 (0.54) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7302817 0.91 MMP1 (0.67) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7310514 0.88 MMP1 (0.49) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7308944 0.88 MMP1 (0.51) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7301736 0.87 MMP1 (0.70) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7303077 0.84 MMP1 (0.72) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7307783 0.84 MMP1 (0.66) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL5919626 0.84 MMP9 (0.67) MMP1MMP13MMP9MMP2ADAM17
Hydrochloric Acid SCHEMBL6537429 0.83 MMP9 (0.66) MMP1MMP13MMP9MMP2ADAM17
SCHEMBL7309090 0.83 MMP1 (0.80) MMP1MMP13MMP9MMP2ADAM17

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