SCHEMBL28629883

SCHEMBL28629883

CCOC(COC(=O)O)OCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL28122801 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15THRB
SCHEMBL5381374 0.81 ALDH1A1 (0.34) ALDH1A1SOAT1
SCHEMBL5662944 0.81 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15THRB
SCHEMBL6276290 0.79 MGAM (0.54) ALDH1A1LMNAHSD17B10ALOX15THRB
SCHEMBL5663644 0.79 NAAA (0.39) ALDH1A1LMNAHSD17B10ALOX15THRB
SCHEMBL14905777 0.79 LMNA (0.36) ALDH1A1LMNAHSD17B10ALOX15THRB
SCHEMBL10621441 0.79 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10ALOX15THRB
SCHEMBL297785 0.79 MAPT (0.41) ALDH1A1LMNAMGAMGAASI
SCHEMBL25314843 0.79 MGAM (0.43) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL7086296 0.77 HCAR2 (0.48) ALDH1A1LMNAHCAR2

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-113461533-A Diesel oil cleaning component based on carbonic acid diether ester and application thereof 中国人民解放军火箭军工程大学 2021-10-01 CN disclosed