Butanedione

Butanedione

SCHEMBL20184746

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

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.65
TSHR P16473 3/20 0.50
THPO P40225 2/20 0.50
LMNA P02545 5/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
ALOX15 P16050 1/20 0.47
TAS2R38 P59533 1/20 0.43
NFKB1 P19838 3/20 0.41
CA2 P00918 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.33
CA4 P22748 2/20 0.33
OR51E2 Q9H255 1/20 0.33

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
Acetic Acid SCHEMBL28316382 0.86 CRBN (0.65) CRBNTSHRTHPOLMNABLM
SCHEMBL15045 0.84
SCHEMBL27939070 0.84 CRBN (0.60) CRBNTSHRTHPOLMNABLM
SCHEMBL27560286 0.84 CRBN (0.60) CRBNTSHRTHPOLMNABLM
SCHEMBL27524722 0.84 CRBN (0.60) CRBNTSHRTHPOLMNABLM
Alcohol SCHEMBL23723907 0.83 CRBN (0.53) CRBNTSHRTHPOLMNABLM
SCHEMBL27952562 0.83 CRBN (0.61) CRBNTSHRTHPOLMNABLM
SCHEMBL9475145 0.81
Ammonia Solution, Strong SCHEMBL15093113 0.81
Ammonia Solution, Strong SCHEMBL9487082 0.81

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-1944144-B1 Method for manufacturing a moulded form containing cellulose FRITZ EGGER GMBH & CO OG (AT) 2018-05-30 EP claimed