SCHEMBL7285185

SCHEMBL7285185

O=Cc1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
GSK3B P49841 2/20 0.50
BACE1 P56817 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CASP1 P29466 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
RAB9A P51151 3/20 0.48
PLA2G4B P0C869 1/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46

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
SCHEMBL24589110 0.87 KDM4E (0.52) POLBKDM4ELMNAMAPTTP53
SCHEMBL7284355 0.87 MAOA (0.52) POLBKDM4ELMNAMAPTTP53
SCHEMBL8681578 0.86 ALDH1A1 (0.61) POLBKDM4ELMNAMAPTTP53
SCHEMBL8625075 0.85 ALDH1A1 (0.59) POLBKDM4ELMNAMAPTTP53
SCHEMBL22214975 0.85 MAOA (0.69) POLBKDM4ELMNAALDH1A1MAPK1
SCHEMBL29460406 0.85 MAOA (0.69) POLBKDM4ELMNAALDH1A1MAPK1
SCHEMBL8013977 0.84 ALOX15 (0.61) POLBKDM4ELMNAMAPTTP53
SCHEMBL8011529 0.84 LMNA (0.62) POLBKDM4ELMNAMAPTTP53
Hydrochloric Acid SCHEMBL27505257 0.84 ALDH1A1 (0.59) POLBKDM4ELMNAMAPTTP53
SCHEMBL5288304 0.83 MAPT (0.59) POLBKDM4ELMNAMAPTTP53

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