Acetone

Acetone

SCHEMBL28294316

CC(=O)CC(C)=O.CC(C)=O.[Co]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.45
TRPA1 O75762 1/20 0.44
KDM4E B2RXH2 3/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
CA2 P00918 1/20 0.38
PTGS1 P23219 1/20 0.38
MMP12 P39900 1/20 0.38
SLC15A2 Q16348 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL1686202 0.96 MGAM (0.53) LMNAMGAMGAASIMGAM2
SCHEMBL28157035 0.96
Acetone SCHEMBL1269333 0.96 LMNA (0.55) LMNAMGAMGAASIMGAM2
SCHEMBL588255 0.96
SCHEMBL11219945 0.96 MGAM (0.53) LMNAMGAMGAASIMGAM2
SCHEMBL28618508 0.92
Water SCHEMBL29441974 0.92 MGAM (0.50) LMNAMGAMGAASIMGAM2
SCHEMBL28197355 0.92
SCHEMBL9854031 0.92 MGAM (0.50) LMNAMGAMGAASIMGAM2
Water SCHEMBL27527841 0.92 MGAM (0.50) LMNAMGAMGAASIMGAM2

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-107431210-B Anode for lithium battery 日产自动车株式会社 2019-04-16 CN disclosed