SCHEMBL7323778

SCHEMBL7323778

O=c1ccc2cc(OC[C@H]3CO3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.50
TP53 P04637 4/20 0.50
CYP3A4 P08684 2/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PDE5A O76074 1/20 0.47
PTAFR P25105 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PMP22 Q01453 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
SCHEMBL3642960 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL3642963 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL3975381 0.83 SLC6A2 (0.51) ALDH1A1TSHRTP53CYP3A4HPGD
SCHEMBL1715242 0.82 ALDH1A1 (0.71) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL31722181 0.80 KDM4E (0.47) ALDH1A1TSHRCYP3A4HPGDMEN1
SCHEMBL27546735 0.80 ALDH1A1 (0.49) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL22264096 0.79 AXL (0.54) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL22264097 0.79 AXL (0.54) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL12441429 0.78 ALDH1A1 (0.67) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL29366782 0.78 ALDH1A1 (0.67) ALDH1A1TSHRTP53CYP3A4HIF1A

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