SCHEMBL7284282

SCHEMBL7284282

O=Cc1c(OCC(=O)OCc2ccccc2)cc(OCC(=O)OCc2ccccc2)cc1OCC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
KDM5A P29375 1/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
CASP1 P29466 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL31562399 0.90 SMN1; SMN2 (0.44) KDM4EPOLBLMNAKDM5AALDH1A1
SCHEMBL31562473 0.89 HDAC8 (0.50) KDM4EPOLBLMNAALDH1A1MAPK1
SCHEMBL7294269 0.84 LMNA (0.54) KDM4EPOLBLMNAKDM5AALDH1A1
SCHEMBL7284355 0.83 MAOA (0.52) KDM4EPOLBLMNAKDM5AALDH1A1
SCHEMBL28491465 0.82 ABCB1 (0.49) KDM4EPOLBLMNAALDH1A1MAPK1
SCHEMBL31562872 0.82 ABCB1 (0.49) KDM4EPOLBLMNAALDH1A1MAPK1
SCHEMBL31562593 0.81 KDM5A (0.42) KDM4EPOLBLMNAKDM5AALDH1A1
SCHEMBL7284280 0.81 KDM4E (0.50) KDM4EPOLBLMNAKDM5AALDH1A1
SCHEMBL2743836 0.81 LMNA (0.50) KDM4EPOLBLMNAALDH1A1MAPK1
SCHEMBL8681578 0.79 ALDH1A1 (0.61) KDM4EPOLBLMNAKDM5AALDH1A1

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