SCHEMBL27760424

SCHEMBL27760424

O=C(O)CCOc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
DPYD Q12882 2/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
CYP19A1 P11511 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
MCL1 Q07820 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL103605 0.84 GAA (0.44) LMNAGAAL3MBTL1DPYDPOLB
Acetic Acid SCHEMBL27871291 0.77 POLB (0.51) LMNAGAAL3MBTL1DPYDPOLB
Thymine SCHEMBL6686289 0.76 ATAD2 (0.58) LMNAGAAL3MBTL1POLBKDM4E
SCHEMBL1624884 0.75 LMNA (0.42) LMNAL3MBTL1POLBKDM4EALDH1A1
SCHEMBL1061623 0.74 GAA (0.48) LMNAGAADPYDALDH1A1SMN1; SMN2
SCHEMBL138381 0.73 LMNA (0.46) LMNAGAAPOLBKDM4EALDH1A1
SCHEMBL29100436 0.72 ALDH1A1 (0.38) LMNAGAADPYDKDM4EALDH1A1
Acetic Acid Methyl Ester SCHEMBL28329738 0.71 POLB (0.52) LMNAGAAPOLBKDM4EMAPT
SCHEMBL29100434 0.71 DPYD (0.47) LMNAGAADPYDKDM4EALDH1A1
SCHEMBL7599612 0.70 PARP1 (0.44) LMNAGAAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426534-A Methods and compositions for detecting and treating retinal diseases GEORGE INANA (US) 2009-05-06 CN disclosed