Butanone

Butanone

SCHEMBL9514626

C=C(C)C(=O)OC.CCC(C)=O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 5/20 0.46
THRB P10828 1/20 0.43
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
HSD17B10 Q99714 2/20 0.36
TET2 Q6N021 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.31
FFAR3 O14843 1/20 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
Propane SCHEMBL23527365 0.90 ALDH1A1 (0.83) ALDH1A1TDP1TSHRTHRBMGAM
Propane SCHEMBL6470806 0.90 ALDH1A1 (0.83) ALDH1A1TDP1TSHRTHRBMGAM
Propionic Acid SCHEMBL27991669 0.88 ALDH1A1 (0.71) ALDH1A1TDP1TSHRTHRBMGAM
Butane SCHEMBL7941631 0.87 ALDH1A1 (0.79) ALDH1A1TDP1TSHRTHRBMGAM
Alcohol SCHEMBL9723847 0.87 ALDH1A1 (0.79) ALDH1A1TDP1TSHRTHRBMGAM
SCHEMBL10636466 0.87
SCHEMBL1849 0.87
SCHEMBL4390490 0.87 ALDH1A1 (1.00) ALDH1A1TDP1TSHRTHRBMGAM
SCHEMBL27466495 0.87 ALDH1A1 (1.00) ALDH1A1TDP1TSHRTHRBMGAM
SCHEMBL10425309 0.86 ALDH1A1 (0.68) ALDH1A1TDP1TSHRTHRBMGAM

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
EP-0573609-A1 PHOTOSENSITIVE COMPOSITIONS CONTAINING COMB POLYMER BINDERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-12-15 EP disclosed
WO-1992015628-A1 PHOTOSENSITIVE COMPOSITIONS CONTAINING COMB POLYMER BINDERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed