SCHEMBL7302762

SCHEMBL7302762

O=C(CC1(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1)NO

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.81
MMP13 P45452 16/20 0.58
MMP14 P50281 10/20 0.58
MMP2 P08253 9/20 0.58
MMP3 P08254 8/20 0.58
MMP9 P14780 8/20 0.58
MMP8 P22894 8/20 0.58
MMP12 P39900 1/20 0.58
MMP7 P09237 1/20 0.52

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
SCHEMBL7307897 0.90 MMP1 (1.00) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7302803 0.90 MMP1 (0.83) MMP1MMP13MMP14MMP2MMP3
SCHEMBL4314591 0.89 MMP1 (1.00) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7298937 0.86 MMP1 (0.61) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7349344 0.86 MMP1 (0.61) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7307395 0.84 MMP1 (0.59) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7304996 0.83 MMP1 (0.57) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7302735 0.80 MMP1 (0.54) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7308343 0.79 MMP1 (0.67) MMP1MMP13MMP14MMP2MMP3
SCHEMBL7309090 0.79 MMP1 (0.80) MMP1MMP13MMP14MMP2MMP3

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 4 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
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed