Butanedione

Butanedione

SCHEMBL11245733

CC(=O)C(C)=O.CC(=O)OC(C)(C(N)=O)C(N)=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.35
THPO P40225 1/20 0.35
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL10696576 0.95 GAA (0.42) GAATSHRLMNAALOX15BLM
SCHEMBL2717509 0.74 GAA (0.42) GAATSHRLMNAALOX15BLM
SCHEMBL2403192 0.73 GAA (0.52) GAATSHRLMNAALDH1A1
SCHEMBL1661821 0.72 DGAT1 (0.46) GAATSHRTHPOALDH1A1
SCHEMBL28473744 0.72 GAA (0.41) GAATSHRLMNAALOX15BLM
SCHEMBL8067024 0.70 LMNA (0.39) GAATSHRLMNAALOX15BLM
Acetamide SCHEMBL28017647 0.70 LMNA (0.47) GAATSHRLMNAALOX15BLM
Alcohol SCHEMBL12986864 0.70 GAA (0.50) GAATSHRLMNAALDH1A1
Carbamic Acid SCHEMBL28090504 0.69 GAA (0.42) GAATSHRLMNAALOX15BLM
Methylamine SCHEMBL5710577 0.67 GAA (0.40) GAATSHRTHPOLMNAALOX15

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-4338210-A Bleach composition LEVER BROTHERS COMPANY (US) 1982-07-06 US disclosed
EP-0024368-A1 Bleach composition UNILEVER N.V. (NL) 1981-03-04 EP disclosed