SCHEMBL7284355

SCHEMBL7284355

O=Cc1cc(OCC(=O)OCc2ccccc2)cc(OCC(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
KDM5A P29375 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP1 P29466 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP19A1 P11511 1/20 0.43
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL29460406 0.89 MAOA (0.69) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL22214975 0.89 MAOA (0.69) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL7285185 0.87 POLB (0.53) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL7284282 0.83 KDM4E (0.50) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL578947 0.81 MAOB (0.75) MAOAMAOBKDM4EALDH1A1MEN1
SCHEMBL8681578 0.81 ALDH1A1 (0.61) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL7284352 0.81 KDM4E (0.53) KDM4ELMNAPOLBKDM5AALDH1A1
Hydrochloric Acid SCHEMBL27505257 0.80 ALDH1A1 (0.59) KDM4ELMNAPOLBKDM5AALDH1A1
SCHEMBL6633355 0.79 ALDH1A1 (0.52) MAOAMAOBKDM4ELMNAPOLB
SCHEMBL7294269 0.79 LMNA (0.54) MAOAMAOBKDM4ELMNAPOLB

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