Acetone

Acetone

SCHEMBL7597623

C=COC(=O)c1ccc(OC)cc1.CC(C)=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
MAPT P10636 5/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
PKM P14618 2/20 0.49
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL1579882 0.96 CA1 (0.62) CA1CA2MAPTCES2CES1
SCHEMBL28447830 0.90 KMT2A (0.59) CA1CA2MAPTCES2CES1
Acetic Acid SCHEMBL27275952 0.83 TSHR (0.40) CA1CA2MAPTKMT2AMEN1
SCHEMBL295796 0.82 ALDH1A1 (0.40) CA1CA2MAPTKMT2AMEN1
SCHEMBL4902491 0.82 ELANE (0.53) MAPTPKMKMT2AKDM4EMEN1
SCHEMBL19506924 0.81 PARP10 (0.48) CA1CA2MAPTPARP10PARP4
SCHEMBL24858702 0.81 CA1 (0.57) CA1CA2MAPTKMT2AMEN1
SCHEMBL9312034 0.81 MAPT (0.48) MAPTKMT2ANPC1LMNA
SCHEMBL28944014 0.80 ALDH1A1 (0.39) CA1CA2MAPTKMT2AMEN1
SCHEMBL8742868 0.79 CA1 (0.64) CA1CA2MAPTCES2CES1

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-6395397-B2 SUBMICROLITHOGRAPHY, E.G., AN ARGON FLUORIDE (ARF) LIGHT SOURCE; CROSSLINKED ACRYLIC TETRAMER OF HIGH ABSORBANCE AT SPECIFIC WAVELENGTHS BASED ON A 4-(HYDROXYPHENOXY)ALKYL-CARBONYLOXY-ALKYL(-HYDROXY) ACRYLIC ESTER HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-05-28 US disclosed
US-20020009595-A1 Organic anti-reflective coating polymer and preparation thereof HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-01-24 US disclosed