SCHEMBL7329615

SCHEMBL7329615

CCN(CCOc1ccccc1)CC(O)COc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KCNH2 Q12809 3/20 0.44
FAAH O00519 1/20 0.43
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE5A O76074 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTAFR P25105 1/20 0.42
BLM P54132 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL7325658 0.89 ALDH1A1 (0.51) POLBKCNH2FAAHALDH1A1CYP1A2
SCHEMBL7329843 0.86 POLB (0.60) POLBKCNH2FAAHALDH1A1CYP1A2
SCHEMBL7331140 0.83 ALDH1A1 (0.47) POLBKCNH2FAAHALDH1A1CYP1A2
SCHEMBL7330408 0.83 KCNH2 (0.43) POLBKCNH2ALDH1A1CYP1A2CYP2C19
SCHEMBL7330407 0.83 KCNH2 (0.43) POLBKCNH2ALDH1A1CYP1A2CYP2C19
SCHEMBL7328754 0.83 KCNH2 (0.46) KCNH2ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL7332778 0.82 KCNH2 (0.47) POLBKCNH2FAAHPDGFRBPDGFRA
SCHEMBL7330480 0.82 ALDH1A1 (0.52) POLBKCNH2FAAHALDH1A1CYP1A2
SCHEMBL7322721 0.80 POLB (0.50) POLBKCNH2FAAHPDGFRBPDGFRA
Fumaric Acid SCHEMBL7331303 0.80 ALDH1A1 (0.45) POLBKCNH2FAAHALDH1A1CYP1A2

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