SCHEMBL7379397

SCHEMBL7379397

C[CH]S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
NFE2L2 Q16236 5/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.50
PKLR P30613 1/20 0.50
RAB9A P51151 1/20 0.50
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PTGS2 P35354 1/20 0.47
F2 P00734 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
SCHEMBL4188150 0.81 NPC1 (0.70) PKMNFE2L2CA1CA2MMP1
SCHEMBL368040 0.77 PKM (0.67) PKMCA1CA2MMP1MMP2
SCHEMBL8427813 0.77 PKM (0.73) PKMCA1CA2MMP1MMP2
SCHEMBL835692 0.77 PKM (1.00) PKMCA1CA2MMP1MMP2
SCHEMBL13074716 0.77 PKM (1.00) PKMCA1CA2MMP1MMP2
SCHEMBL14486413 0.77 PKM (1.00) PKMCA1CA2MMP1MMP2
SCHEMBL4541426 0.77 PKM (0.73) PKMCA1CA2MMP1MMP2
SCHEMBL28341391 0.76 NFE2L2 (0.79) PKMNFE2L2ALDH1A1PTGS2
SCHEMBL11562012 0.76 F2 (0.54) PKMNFE2L2CA1CA2MMP1
SCHEMBL2872244 0.76 PKM (0.53) PKMNFE2L2CA1CA2MMP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed