Acetone

Acetone

SCHEMBL11519294

CC(C)=O.COC(=O)CCCO

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
CAMK2A Q9UQM7 1/20 0.42
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL93695 0.95
Hydrochloric Acid SCHEMBL27744210 0.92
1,4-Butanediol SCHEMBL3731846 0.92 TSHR (0.70) TSHRLMNAALDH1A1MGAMGAA
Ethylene Glycol SCHEMBL3741947 0.92 TSHR (0.70) TSHRLMNAALDH1A1MGAMGAA
Methylene Chloride SCHEMBL4900933 0.88 TSHR (0.64) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL429683 0.87
SCHEMBL1277943 0.85 TSHR (0.67) TSHRLMNAALDH1A1GAAKMT2A
SCHEMBL1199597 0.85 TSHR (0.67) TSHRLMNAALDH1A1GAAKMT2A
SCHEMBL816422 0.85 TSHR (0.67) TSHRLMNAALDH1A1GAAKMT2A
SCHEMBL1976107 0.85 TSHR (0.67) TSHRLMNAALDH1A1GAAKMT2A

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-4140805-A SOLVENT EXTRACTION OF ALFALFA AND CLOVER EDWARDS GEORGE W 1979-02-20 US disclosed