Acetone

Acetone

SCHEMBL9668686

CC(C)=O.Cc1ccc(C(C)c2ccc(C)cc2C)c(C)c1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
LMNA P02545 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
CASR P41180 1/20 0.44
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2A6 P11509 1/20 0.37
GRM1 Q13255 1/20 0.37

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
SCHEMBL6546836 0.89 CASR (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6546945 0.79 CASR (0.51) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11301020 0.79 CASR (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL27766136 0.79 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8960497 0.78 TRPA1 (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8960143 0.78 TRPA1 (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11881991 0.77 LMNA (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7237387 0.76 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6064118 0.76 TDP1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19205698 0.76 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A

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
US-5089192-A Casted from solution containing acid IONICS, INCORPORATED (US) 1992-02-18 US disclosed