SCHEMBL7319931

SCHEMBL7319931

[CH2]S(=O)(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
ACHE P22303 1/20 0.48
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EGFR P00533 1/20 0.45
PTGS2 P35354 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
HPGD P15428 1/20 0.43
HTR2C P28335 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5095441 0.82 POLB (0.59) CA9CA1CA2CA12ACHE
SCHEMBL7319937 0.80 SMN1; SMN2 (0.52) CA9CA1CA2CA12ACHE
SCHEMBL4005582 0.78 CA9 (0.68) CA9CA1CA2CA12ACHE
SCHEMBL2368094 0.78 CA9 (0.49) CA9CA1CA2CA12ACHE
SCHEMBL2217165 0.78 CYP3A4 (0.52) CA9CA1CA2CA12ACHE
SCHEMBL7246613 0.78 CA9 (0.49) CA9CA1CA2CA12ACHE
SCHEMBL9112719 0.78 CA9 (0.45) CA9CA1CA2CA12ACHE
SCHEMBL7331346 0.77 POLB (0.70) CA9CA12POLBTSHRMAPK1
SCHEMBL2376697 0.74 PTGS2 (0.53) CA9CA1CA2CA12ACHE
SCHEMBL10409516 0.71 CA9 (0.42) CA9CA1CA2CA12ACHE

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