SCHEMBL7301387

SCHEMBL7301387

O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCCC1)NO

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.79
MMP13 P45452 13/20 0.53
MMP2 P08253 11/20 0.53
MMP14 P50281 7/20 0.53
ADAMTS4 O75173 3/20 0.53
ADAMTS5 Q9UNA0 3/20 0.53
MEP1B Q16820 1/20 0.53
MMP9 P14780 7/20 0.53
MMP8 P22894 7/20 0.53
MMP3 P08254 5/20 0.53
MMP16 P51512 2/20 0.49
MMP7 P09237 1/20 0.45
ADAM17 P78536 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MMP12 P39900 2/20 0.44

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
SCHEMBL7309090 0.99 MMP1 (0.80) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7307897 0.88 MMP1 (1.00) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7308211 0.88 MMP1 (0.76) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7299253 0.88 MMP1 (0.76) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7303077 0.86 MMP1 (0.72) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7303375 0.85 MMP1 (0.59) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7301736 0.84 MMP1 (0.70) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL6823262 0.84 MMP1 (0.59) MMP1MMP13MMP2MEP1BMMP9
SCHEMBL7299271 0.82 MMP1 (0.66) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7307783 0.82 MMP1 (0.66) MMP1MMP13MMP2MMP14ADAMTS4

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