SCHEMBL7294269

SCHEMBL7294269

O=Cc1ccc(OCC(=O)OCc2ccccc2)cc1OCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NTSR1 P30989 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MAPK1 P28482 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2743836 0.96 LMNA (0.50) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL7284282 0.84 KDM4E (0.50) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL5511473 0.84 KDM4E (0.53) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL28068381 0.81 ALDH1A1 (0.67) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL865350 0.81 MAOA (0.58) POLBMAPTMEN1KMT2AHDAC8
SCHEMBL7285185 0.80 POLB (0.53) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL12035867 0.80 PTPN1 (0.49) LMNAPOLBMAPTCYP1A2CYP2C19
SCHEMBL7294266 0.80 POLB (0.54) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL6633355 0.80 ALDH1A1 (0.52) LMNAKDM4EPOLBALDH1A1MAPT
SCHEMBL22214975 0.79 MAOA (0.69) LMNAKDM4EPOLBALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed