SCHEMBL7302735

SCHEMBL7302735

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.54
MMP13 P45452 16/20 0.46
MMP9 P14780 10/20 0.46
ADAM17 P78536 3/20 0.46
MMP14 P50281 7/20 0.43
MMP2 P08253 6/20 0.43
MMP3 P08254 5/20 0.43
MMP8 P22894 5/20 0.43
KDM2B Q8NHM5 1/20 0.41
MMP7 P09237 2/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7302817 0.90 MMP1 (0.67) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7313624 0.88 MMP1 (0.41) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7307395 0.85 MMP1 (0.59) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7304996 0.83 MMP1 (0.57) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7298937 0.80 MMP1 (0.61) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7302762 0.80 MMP1 (0.81) MMP1MMP13MMP9MMP14MMP2
SCHEMBL7308944 0.79 MMP1 (0.51) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7310514 0.79 MMP1 (0.49) MMP1MMP13MMP9ADAM17MMP14
SCHEMBL7301752 0.79 MMP1 (0.52) 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 12 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
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
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed