SCHEMBL7330755

SCHEMBL7330755

CCOc1ccc(S(=O)(=O)C[C](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 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
NQO1 P15559 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 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
SCHEMBL7376732 0.88 ALDH1A1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL8249922 0.81 KMT2A (0.71) CA12CA1CA2CA7CA9
SCHEMBL755720 0.77 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL931421 0.77 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL11087708 0.76 CA12 (0.63) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL11519194 0.76 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL7330760 0.75 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8798490 0.75 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1694716 0.75 ALDH1A1 (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL6746191 0.75 CA12 (0.68) 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