SCHEMBL7320320

SCHEMBL7320320

CCOc1ccc(CN(CCO)CC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.46
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
KCNH2 Q12809 2/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7353774 0.92 ALDH1A1 (0.53) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL6647934 0.90 ALDH1A1 (0.48) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7324920 0.90 ALDH1A1 (0.48) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7324303 0.90 ALDH1A1 (0.48) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7356859 0.85 ALDH1A1 (0.63) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7330480 0.84 ALDH1A1 (0.52) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7329843 0.83 POLB (0.60) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7326199 0.82 MEN1 (0.46) ALDH1A1MAPTTSHRKDM4EHPGD
SCHEMBL7331471 0.79 ALDH1A1 (0.55) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7328754 0.79 KCNH2 (0.46) ALDH1A1MAPTTSHRTP53KDM4E

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