SCHEMBL7307897

SCHEMBL7307897

O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 17/20 1.00
MMP13 P45452 14/20 0.66
MMP2 P08253 11/20 0.66
MMP3 P08254 8/20 0.66
MMP9 P14780 8/20 0.66
MMP8 P22894 8/20 0.66
MMP14 P50281 12/20 0.59
MMP7 P09237 1/20 0.53
ADAMTS4 O75173 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
MEP1B Q16820 1/20 0.51

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
SCHEMBL7302803 0.91 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL4314591 0.90 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7302762 0.90 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7309090 0.89 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301387 0.88 MMP1 (0.79) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7308211 0.86 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7299253 0.86 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7308080 0.86 MMP1 (0.75) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7311267 0.85 MMP1 (0.73) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7303077 0.84 MMP1 (0.72) MMP1MMP13MMP2MMP3MMP9

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 6 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
JP-9249638-A None JP disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
JP-H09249638-A MATRIX METAPROTEASE INHIBITOR F HOFFMANN LA ROCHE AG 1997-09-22 JP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed