Sugi Predict

Sugi Predict / Compounds / Acetone

Acetone

Acetone

SCHEMBL17074615

CC(C)=O.CCCCCCCCCCCCCC(CC)C(=O)CC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CA1 P00915 4/20 0.48
▸ GRIK1 P39086 1/20 0.44
▸ GRIK2 Q13002 1/20 0.44
▸ GPR84 Q9NQS5 3/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ MAPT P10636 1/20 0.42

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
SCHEMBL128715 0.96 CA2 (0.54) CA2MAPK1CA1GRIK1GRIK2
Methyl Alcohol SCHEMBL11207743 0.94 CA2 (0.52) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL15218406 0.94 CA2 (0.56) CA2MAPK1CA1GRIK1GRIK2
Alcohol SCHEMBL7526619 0.92 CA2 (0.50) CA2MAPK1CA1GRIK1GRIK2
Benzene SCHEMBL11121543 0.90 CA2 (0.53) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL18994619 0.87 CA2 (0.57) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL5017279 0.87 CA2 (0.57) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL10031685 0.87 CA2 (0.64) CA2MAPK1CA1MAPT
SCHEMBL1423123 0.87 CA2 (0.57) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL1408172 0.87 CA2 (0.57) CA2MAPK1GRIK1GRIK2GPR84

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
EP-2439217-B1 VINYL CHLORIDE-BASED RESIN EMULSION, WATER-BASED INK AND RECORDING PAPER NISSIN CHEMICAL IND (JP) 2015-09-16 — — EP claimed