SCHEMBL7301865

SCHEMBL7301865

O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(-c4nccs4)cc3)cc2)CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.66
MMP2 P08253 13/20 0.66
MMP1 P03956 12/20 0.66
ADAM17 P78536 7/20 0.66
MMP9 P14780 6/20 0.66
MMP14 P50281 6/20 0.66
MMP3 P08254 5/20 0.66
MMP8 P22894 4/20 0.66
MMP7 P09237 2/20 0.66
ABCB11 O95342 1/20 0.66
MMP10 P09238 1/20 0.66

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 0.84 MMP1 (0.70) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7302287 0.83 MMP1 (0.68) MMP13MMP2MMP1ADAM17MMP9
Hydrochloric Acid SCHEMBL7349688 0.82 MMP13 (0.77) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7300614 0.82 MMP13 (0.67) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7305258 0.82 MMP13 (0.67) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7308144 0.81 MMP13 (0.66) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7306093 0.81 MMP1 (0.81) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7308448 0.81 MMP1 (0.81) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL3984079 0.80 MMP1 (0.80) MMP13MMP2MMP1ADAM17MMP9
SCHEMBL7301710 0.80 MMP1 (0.80) MMP13MMP2MMP1ADAM17MMP9

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