SCHEMBL7299253

SCHEMBL7299253

O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1)NO

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.76
MMP13 P45452 9/20 0.53
MMP9 P14780 7/20 0.53
ADAM17 P78536 1/20 0.53
MMP2 P08253 7/20 0.51
MMP14 P50281 7/20 0.51
ADAMTS4 O75173 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
MEP1B Q16820 1/20 0.51
MMP3 P08254 13/20 0.51
MMP8 P22894 6/20 0.51
MMP10 P09238 8/20 0.48
KCNH2 Q12809 1/20 0.47
MMP16 P51512 1/20 0.47

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
SCHEMBL7301493 0.90 MMP1 (0.76) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7298937 0.90 MMP1 (0.61) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7309090 0.89 MMP1 (0.80) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7301387 0.88 MMP1 (0.79) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7307897 0.86 MMP1 (1.00) MMP1MMP13MMP9MMP2MMP14
SCHEMBL7308211 0.86 MMP1 (0.76) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7468985 0.85 MMP1 (0.57) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7303077 0.84 MMP1 (0.72) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7301736 0.82 MMP1 (0.70) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7299271 0.80 MMP1 (0.66) MMP1MMP13MMP9ADAM17MMP2

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