Acetone

Acetone

SCHEMBL6440935

CC(=O)C(N)N.CC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
TSHR P16473 2/20 0.36
THPO P40225 1/20 0.36
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
SLC7A5 Q01650 2/20 0.35
CA1 P00915 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GRIK1 P39086 1/20 0.31
GABRP O00591 4/20 0.30
GABRD O14764 4/20 0.30
GABRA1 P14867 4/20 0.30
GABRB1 P18505 4/20 0.30
GABRG2 P18507 4/20 0.30
GABRB3 P28472 4/20 0.30
GABRA5 P31644 4/20 0.30

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 SCHEMBL451588 1.00 LMNA (0.50) LMNAALOX15BLMPMP22TSHR
Acetone SCHEMBL8015756 0.96 LMNA (0.46) LMNAALOX15BLMPMP22TSHR
SCHEMBL3239625 0.96
Bromide SCHEMBL10625711 0.92
Hydrochloric Acid SCHEMBL8015754 0.92 LMNA (0.43) LMNAALOX15BLMPMP22TSHR
Hydrochloric Acid SCHEMBL2672492 0.92
SCHEMBL407879 0.75
SCHEMBL992043 0.75
SCHEMBL9617308 0.75 LMNA (0.43) LMNAALOX15BLMPMP22TSHR
Acetic Acid SCHEMBL9151775 0.75 FFAR3 (0.58) LMNAALOX15BLMPMP22TSHR

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
US-20050241526-A1 Mixtures of finely ground waxes CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-11-03 US claimed
US-20050241526-A1 Mixtures of finely ground waxes CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-11-03 US disclosed