SCHEMBL7330760

SCHEMBL7330760

CCOc1ccc(S(=O)(=O)CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NQO1 P15559 1/20 0.50
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP13 P45452 3/20 0.49
MMP1 P03956 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SQSTM1 Q13501 1/20 0.45

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
SCHEMBL7407169 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL7407167 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL13588820 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL931421 0.77 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL21649299 0.76 MMP2 (0.55) MMP13MMP1MMP2MMP9MMP14
SCHEMBL28159944 0.76 MMP13 (0.46) ALDH1A1SMN1; SMN2GAAMMP13MMP1
SCHEMBL10409397 0.76 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL20709252 0.76 CA2 (0.53) CA2ALDH1A1GAAL3MBTL1MMP13
SCHEMBL7330755 0.75 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL28109405 0.75 CA12 (0.58) CA12CA1CA2CA7CA9

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 6 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
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed