Acetone

Acetone

SCHEMBL5756892

CC(C)=O.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
CA4 P22748 2/20 0.43
TSHR P16473 3/20 0.42
THPO P40225 1/20 0.42
FFAR3 O14843 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CA1 P00915 2/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33

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
Acetone SCHEMBL9234736 1.00 LMNA (0.60) LMNACA4TSHRTHPOFFAR3
Acetone SCHEMBL2143494 1.00 LMNA (0.60) LMNACA4TSHRTHPOFFAR3
Acetone SCHEMBL1419519 1.00 LMNA (0.60) LMNACA4TSHRTHPOFFAR3
Acetone SCHEMBL11461983 1.00 LMNA (0.60) LMNACA4TSHRTHPOFFAR3
Acetone SCHEMBL11461982 1.00 LMNA (0.60) LMNACA4TSHRTHPOFFAR3
Acetone SCHEMBL48035 1.00
Acetone SCHEMBL3946984 0.95
Acetone SCHEMBL1318046 0.95 LMNA (0.55) LMNACA4TSHRTHPOFFAR3
Acetone SCHEMBL9242287 0.95
Acetone SCHEMBL11387175 0.91 LMNA (0.50) LMNACA4TSHRTHPOFFAR3

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
EP-1726596-A1 SUGAR CHAIN LIGAND COMPOSITE AND METHOD OF ANALYZING PROTEIN WITH THE LIGAND COMPOSITE Japan Science and Technology Agency (JP) 2006-11-29 EP disclosed