SCHEMBL7285180

SCHEMBL7285180

O=[C]c1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PLA2G4B P0C869 1/20 0.50
CASP1 P29466 1/20 0.50
FFAR1 O14842 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM5A P29375 1/20 0.47
MAOB P27338 2/20 0.46
PARP10 Q53GL7 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
SCHEMBL8681578 0.89 ALDH1A1 (0.61) LMNAKDM4EPOLBTP53MAPT
SCHEMBL7284352 0.88 KDM4E (0.53) LMNAKDM4EPOLBTP53MAPT
SCHEMBL8013977 0.87 ALOX15 (0.61) LMNAKDM4EPOLBTP53MAPT
SCHEMBL8011529 0.87 LMNA (0.62) LMNAKDM4EPOLBTP53MAPT
Hydrochloric Acid SCHEMBL27505257 0.87 ALDH1A1 (0.59) LMNAKDM4EPOLBTP53MAPT
SCHEMBL5288304 0.86 MAPT (0.59) LMNAKDM4EPOLBTP53MAPT
SCHEMBL8479686 0.84 RAB9A (0.62) LMNAKDM4EPOLBTP53MAPT
SCHEMBL14405820 0.84 GAA (0.59) LMNAKDM4EPOLBTP53MAPT
SCHEMBL8625075 0.84 ALDH1A1 (0.59) LMNAKDM4EPOLBTP53MAPT
SCHEMBL7993441 0.84 KDM4E (0.55) LMNAKDM4EPOLBTP53MAPT

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