Acetone

Acetone

SCHEMBL29280757

CC(C)=O.O=C1C=CC(=O)N1c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.78
FAAH O00519 5/20 0.61
DDAH1 O94760 1/20 0.59
HSP90AA1 P07900 4/20 0.55
PKM P14618 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NSD2 O96028 1/20 0.48
G6PD P11413 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL5599239 0.89 MGLL (0.75) MGLLFAAHDDAH1HSP90AA1PKM
Benzene SCHEMBL28088808 0.89 MGLL (1.00) MGLLFAAHDDAH1HSP90AA1PKM
SCHEMBL18713 0.89 MGLL (1.00) MGLLFAAHDDAH1HSP90AA1PKM
SCHEMBL8920586 0.89 MGLL (1.00) MGLLFAAHDDAH1HSP90AA1PKM
Methacrylic Acid SCHEMBL9203835 0.88 MGLL (0.67) MGLLFAAHDDAH1HSP90AA1PKM
SCHEMBL30657178 0.86 MGLL (0.95) MGLLFAAHDDAH1HSP90AA1PKM
Arsenic SCHEMBL28143838 0.86 MGLL (0.95) MGLLFAAHDDAH1HSP90AA1PKM
SCHEMBL15841338 0.86 MGLL (0.95) MGLLFAAHDDAH1HSP90AA1PKM
Hydrochloric Acid SCHEMBL8536567 0.86 MGLL (0.95) MGLLFAAHDDAH1HSP90AA1PKM
Ammonia Solution, Strong SCHEMBL28183953 0.86 MGLL (0.95) MGLLFAAHDDAH1HSP90AA1PKM

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-117801498-A High-strength modified polyphenyl ether material for vehicles and preparation method thereof 铜陵贝斯美科技有限公司 2024-04-02 CN claimed
CN-117801498-A High-strength modified polyphenyl ether material for vehicles and preparation method thereof 铜陵贝斯美科技有限公司 2024-04-02 CN disclosed