Acetone

Acetone

SCHEMBL4590814

CC(C)=O.CCCC(=O)CCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.53
CES2 O00748 3/20 0.53
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
FFAR3 O14843 3/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CTSD P07339 1/20 0.41
IAPP P10997 2/20 0.40
AKR1B1 P15121 1/20 0.36

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
SCHEMBL25174 0.93
SCHEMBL8119186 0.93 CES2 (0.60) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL27472888 0.89 CES2 (0.56) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL1772045 0.89 CES2 (0.56) CES1CES2HDAC3HDAC1HDAC2
Methyl Alcohol SCHEMBL8763782 0.89 CES2 (0.56) CES1CES2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL28404295 0.89
SCHEMBL28760889 0.89
SCHEMBL28191374 0.89
Butanone SCHEMBL2972772 0.87 ALDH1A1 (0.62) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL28537006 0.87 ALDH1A1 (0.53) CES1CES2HDAC3HDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945378-A2 THERMALLY CONDUCTIVE MICROPOROUS COATING You, Seung Mun (US) 2008-07-23 EP claimed
WO-2007056571-A2 THERMALLY CONDUCTIVE MICROPOROUS COATING YOU SEUNG MUN (US) 2007-05-18 WO claimed
US-9159467-B2 Dielectric ceramic composition, electronic element, and composite electric element TDK CORPORATION (JP) 2015-10-13 US disclosed
US-20140220364-A1 DIELECTRIC CERAMIC COMPOSITION, ELECTRONIC ELEMENT, AND COMPOSITE ELECTRIC ELEMENT TDK CORPORATION (JP) 2014-08-07 US disclosed
US-5104762-A Carrier of magnetic particles coated with fluoropolymer and fatty acid salt, and toner blend of styrene-acryl copolymer ammonium modified polysiloxane KONICA CORPORATION (JP) 1992-04-14 US disclosed