SCHEMBL7329519

SCHEMBL7329519

[CH2]C[S+]([O-])c1cccc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
MAOB P27338 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ENPP2 Q13822 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRM5 P08912 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL11986334 0.82 ACHE (0.42) ACHECA1CA2CA7CA9
SCHEMBL20442539 0.79 ACHE (0.40) ACHECA1CA2CA7CA9
SCHEMBL3167321 0.79 ACHE (0.50) ACHECA1CA2CA7CA9
SCHEMBL28464622 0.78 MAOB (0.50) TAAR1IDO1AGXTMAOBCHRM2
SCHEMBL11986324 0.78 ACHE (0.39) ACHECA1CA2CA7CA9
SCHEMBL2577656 0.77 ACHE (0.48) ACHECA1CA2CA7CA9
SCHEMBL9112728 0.77 ACHE (0.48) ACHECA1CA2CA7CA9
SCHEMBL9113581 0.77 CA1 (0.46) ACHECA1CA2CA7CA9
SCHEMBL23912801 0.76 ACHE (0.47) ACHECA1CA2CA7CA9
SCHEMBL20048775 0.76 ALDH1A1 (0.50) ACHECA1CA2CA7CA9

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