Sugi Predict

Sugi Predict / Compounds / Acetone

Acetone

Acetone

SCHEMBL9650262

CC(C)=O.O=C=NCCCCCCCCN=C=O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ KEAP1 Q14145 2/20 0.34
▸ NFE2L2 Q16236 2/20 0.34
▸ TRPA1 O75762 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ BACH1 O14867 1/20 0.31
▸ MAFK O60675 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ NOS2 P35228 1/20 0.31

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
Acetone SCHEMBL28639695 1.00 MIF (0.36) MIFNAAAGSK3BKEAP1NFE2L2
Acetic Acid SCHEMBL28421734 0.92 FFAR3 (0.35) MIFNAAAGSK3BKEAP1NFE2L2
Methyl Alcohol SCHEMBL7039090 0.89 MIF (0.39) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL2231808 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL8742957 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL3238884 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL10809632 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL15038 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL1477623 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2
SCHEMBL43799 0.86 MIF (0.38) MIFNAAAGSK3BKEAP1NFE2L2

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-5162575-A Reacting organic base with halogenated amide in solvent OLIN CORPORATION (US) 1992-11-10 — — US disclosed