SCHEMBL7284352

SCHEMBL7284352

O=[C]c1cc(OCC(=O)OCc2ccccc2)cc(OCC(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
KDM5A P29375 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CASP1 P29466 1/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
PLA2G4B P0C869 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
SLC6A2 P23975 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
SCHEMBL7285180 0.88 LMNA (0.55) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL8681578 0.86 ALDH1A1 (0.61) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL7284280 0.85 KDM4E (0.50) KDM4ELMNAPOLBKDM5AALDH1A1
Hydrochloric Acid SCHEMBL27505257 0.84 ALDH1A1 (0.59) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL28185132 0.82 MEN1 (0.59) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL8011529 0.81 LMNA (0.62) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL8013977 0.81 ALOX15 (0.61) KDM4ELMNAPOLBALDH1A1MAPK1
SCHEMBL7284355 0.81 MAOA (0.52) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL5288304 0.80 MAPT (0.59) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL7294266 0.80 POLB (0.54) KDM4ELMNAPOLBKDM5AALDH1A1

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