Acetone

Acetone

SCHEMBL11802482

C=Cc1ccccc1C=C.CC(C)=O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
AKT1 P31749 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GSR P00390 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
Acetamide SCHEMBL27724259 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMAPTAKT1CYP1A2
Bicarbonate SCHEMBL15861641 0.86 ALDH1A1 (0.50) ALDH1A1LMNAAKT1CYP2C19GSR
SCHEMBL3146710 0.86 ALDH1A1 (0.50) ALDH1A1LMNAMAPTCYP1A2CYP3A4
Methacrylic Acid SCHEMBL301490 0.86 KDM4E (0.42) ALDH1A1LMNAMAPTAKT1CYP2C9
Acetic Acid SCHEMBL28307970 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPTAKT1CYP1A2
Methacrylic Acid SCHEMBL8110276 0.86 KDM4E (0.42) ALDH1A1LMNAMAPTAKT1CYP2C9
Methyl Alcohol SCHEMBL28639807 0.86 ALDH1A1 (0.55) ALDH1A1LMNAMAPTAKT1CYP3A4
Methacrylic Acid SCHEMBL29560432 0.84 ALDH1A1 (0.40) ALDH1A1LMNAMAPTAKT1CYP1A2
SCHEMBL11175970 0.84 TDP1 (0.50) ALDH1A1LMNAMAPTAKT1CYP1A2
Methacrylic Acid SCHEMBL460575 0.84 ALDH1A1 (0.40) ALDH1A1LMNAMAPTAKT1CYP1A2

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-3971884-A Ethylene-vinyl acetate silicone rubber adherent laminates and method of production NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1976-07-27 US disclosed