SCHEMBL7302803

SCHEMBL7302803

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

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.83
MMP13 P45452 15/20 0.54
MMP14 P50281 11/20 0.54
MMP2 P08253 10/20 0.54
MMP9 P14780 10/20 0.54
MMP3 P08254 9/20 0.54
MMP8 P22894 9/20 0.54
MMP7 P09237 2/20 0.53
ADAM17 P78536 2/20 0.47
ABCB11 O95342 1/20 0.47
MMP10 P09238 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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 0.91 MMP1 (1.00) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7302762 0.90 MMP1 (0.81) MMP1MMP13MMP14MMP2MMP9
SCHEMBL4314591 0.90 MMP1 (1.00) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7308343 0.80 MMP1 (0.67) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7309090 0.80 MMP1 (0.80) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7301387 0.79 MMP1 (0.79) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7311267 0.78 MMP1 (0.73) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7308080 0.77 MMP1 (0.75) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7308211 0.77 MMP1 (0.76) MMP1MMP13MMP14MMP2MMP9
SCHEMBL7299253 0.77 MMP1 (0.76) MMP1MMP13MMP14MMP2MMP9

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