SCHEMBL28845451

SCHEMBL28845451

[CH2]c1c(C(C)=O)ccc(C(C)=O)c1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
HPGD P15428 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
PBRM1 Q86U86 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 5/20 0.33
TSHR P16473 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
NSD2 O96028 1/20 0.31

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
SCHEMBL1665864 0.82 THRB (0.48) THRBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL8577016 0.75 THRB (0.42) THRBHPGDALDH1A1PBRM1KMT2A
SCHEMBL7798942 0.73 THRB (0.46) THRBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL1683823 0.73 THRB (0.46) THRBHPGDALDH1A1PBRM1KMT2A
SCHEMBL15658811 0.73 HPGD (0.37) THRBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL600052 0.72 THRB (0.56) THRBHPGDALDH1A1CYP3A4PBRM1
SCHEMBL10883365 0.71 THRB (0.56) THRBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL1667194 0.71 THRB (0.39) THRBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL28540780 0.71 THRB (0.39) THRBHPGDALDH1A1CYP3A4MAPK1
SCHEMBL4075879 0.70 CYP1A2 (0.44) THRBALDH1A1ALOX15KDM4ETSHR

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-106795129-A Ascorbic acid derivative and method for producing glycoside using same 三得利控股株式会社 2017-05-31 CN disclosed