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