SCHEMBL28778264

SCHEMBL28778264

COC(=O)C(c1ccc(O)c(C=O)c1)([SH](=O)(O)O)[SH](=O)(O)O.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.45
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK1 P06493 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6688756 0.80 CNR1 (0.54) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6460108 0.75 ERN1 (0.45) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL209836 0.70 ESR1 (0.55) ERN1TRIM24TRIM33MAPTALOX15
SCHEMBL332380 0.70 MAPT (0.62) ERN1TRIM24TRIM33ALDH1A1MAPT
SCHEMBL13257343 0.69 ERN1 (0.55) ERN1TRIM24TRIM33MAPTCDK1
SCHEMBL11417093 0.69 MAPT (0.61) ERN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL16130218 0.69 ERN1 (0.50) ERN1TRIM24TRIM33MAPTCDK1
SCHEMBL4876547 0.68 ERN1 (0.46) ERN1MAPTCDK1SMN1; SMN2
SCHEMBL7797570 0.68 CNR2 (0.57) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL2730517 0.68 ERN1 (0.54) ERN1TRIM24TYRTRIM33ALDH1A1

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-114436905-A Purification method of 3-aldehyde-4-hydroxy methyl phenylacetate 攀枝花学院 2022-05-06 CN disclosed