SCHEMBL2168959

SCHEMBL2168959

O=CC(O)c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 5/20 0.46
GAA P10253 2/20 0.45
ATAD2 Q6PL18 1/20 0.45
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4C Q9H3R0 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16893950 0.81 GAA (0.54) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL8933555 0.76 GAA (0.48) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL103606 0.73 GAA (0.45) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL30166019 0.73 LMNA (0.45) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL28117337 0.73 ATAD2 (0.41) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL18640389 0.72 GAA (0.44) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL1918404 0.71 ATAD2 (0.52) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL8537479 0.71 MAPT (0.52) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL11417188 0.71 DPYD (0.46) DPYDGAAATAD2MAPTALDH1A1
SCHEMBL7668285 0.71 DPYD (0.46) DPYDGAAATAD2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106255697-B Phosphorus protecting group and preparation method and application thereof 安捷伦科技有限公司 2020-04-28 CN disclosed
CN-106255697-A Phosphorus protecting group and preparation method and application thereof 安捷伦科技有限公司 2016-12-21 CN disclosed
EP-2348117-A1 Arabidopsis genes encoding proteins involved in sugar and lipid metabolism and methods of use BASF Plant Science GmbH (DE) 2011-07-27 EP disclosed