Acetone

Acetone

SCHEMBL28329344

CC(C)=O.CCCC(=O)OC(C(O)C=O)C(O)C(O)CO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.32
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
PRKCA P17252 2/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 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
SCHEMBL6228481 0.97 MAPT (0.36) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL9225414 0.86 MAPT (0.53) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL9227207 0.86 MAPT (0.53) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL6226136 0.84 PDE4A (0.32) LMNA
SCHEMBL4604011 0.83 PRKCA (0.33) MAPTMAPK1ALDH1A1FAAHHPGD
Acetone SCHEMBL2803668 0.81 MAPT (0.35) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL4604007 0.80 PRKCA (0.33) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL4605190 0.80 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL4605186 0.80 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1FAAHHPGD
SCHEMBL28085202 0.78 USP2 (0.36) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475551-A Disease and obstacle are treated and prevented using short chain fatty acids UNIV TEMPLE 2019-11-19 CN claimed
CN-110475551-A Disease and obstacle are treated and prevented using short chain fatty acids UNIV TEMPLE 2019-11-19 CN disclosed