Butanedione

Butanedione

SCHEMBL11518902

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THPO P40225 1/20 0.50
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA4 P22748 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL13006360 0.76
SCHEMBL491682 0.76
SCHEMBL491681 0.76
Acetic Acid SCHEMBL3214926 0.74 FFAR3 (0.37) TP53FFAR3LCKFYN
Acetone SCHEMBL10894858 0.72 LMNA (0.30) LMNA
Hydrochloric Acid SCHEMBL11441384 0.71
Butanedione SCHEMBL1867426 0.71 TSHR (1.00) TSHRTHPOTHRBBLMPMP22
Butanedione SCHEMBL20472 0.71
SCHEMBL7362896 0.67
SCHEMBL7089266 0.67

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-4180448-A Process for preparation of plastic molded articles having metal film MITSUBISHI JIDOSHA KOGYO KABUSHIKI KAISHA (JP) 1979-12-25 US disclosed