SCHEMBL7302175

SCHEMBL7302175

O=C(O)C1(CS(=O)(=O)c2ccc(Oc3ccc(-c4ccsc4)cc3)cc2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.53
MMP13 P45452 12/20 0.53
MMP2 P08253 9/20 0.53
MMP3 P08254 7/20 0.53
MMP9 P14780 7/20 0.53
MMP8 P22894 6/20 0.53
MMP14 P50281 6/20 0.53
MMP7 P09237 2/20 0.53
ABCB11 O95342 1/20 0.53
MMP10 P09238 1/20 0.53
ADAM17 P78536 1/20 0.53
AOC2 O75106 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL7303000 0.89 MMP1 (0.70) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7310714 0.83 MMP1 (0.63) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7306367 0.82 MMP1 (0.53) MMP1MMP13MMP2MMP3MMP9
SCHEMBL9938067 0.81 MMP1 (0.77) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7306941 0.81 MMP1 (0.64) MMP1MMP13MMP2MMP3MMP9
Hydroxyamine SCHEMBL5914637 0.79 MMP1 (0.74) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7305258 0.73 MMP13 (0.67) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301865 0.73 MMP13 (0.66) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7306093 0.73 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7302287 0.72 MMP1 (0.68) 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 2 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 disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed