SCHEMBL7866976

SCHEMBL7866976

COc1ccc(S(=O)(=O)CC(NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.44
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MMP2 P08253 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CNR1 P21554 1/20 0.40
MMP9 P14780 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP3 P08254 2/20 0.39
CACNA1B Q00975 1/20 0.39
MMP8 P22894 1/20 0.39
ACHE P22303 1/20 0.38
MMP1 P03956 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL7870766 0.89 MMP13 (0.48) MMP13KEAP1NFE2L2HCRTR1HCRTR2
SCHEMBL7870727 0.87 MMP13 (0.60) MMP13HCRTR1HCRTR2MMP2MMP9
SCHEMBL7868834 0.84 MMP13 (0.61) MMP13CA1CA2CACNA1BMMP8
SCHEMBL7866994 0.83 MMP13 (0.45) MMP13KEAP1NFE2L2HCRTR1HCRTR2
SCHEMBL7867074 0.83 MMP13 (0.51) MMP13MMP2CA1CA2CNR1
SCHEMBL7868903 0.81 MMP13 (0.56) MMP13MMP2MMP9MMP3MMP1
SCHEMBL7869903 0.80 MMP13 (0.57) MMP13MMP2CA1CA2MMP9
SCHEMBL7870912 0.79 MMP13 (0.43) MMP13KEAP1NFE2L2MMP2L3MBTL1
SCHEMBL7866993 0.79 MMP13 (0.48) MMP13KEAP1HCRTR1HCRTR2MMP2
SCHEMBL7868902 0.77 MMP13 (0.59) MMP13MMP2MMP9MMP1

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
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed