Butanone

Butanone

SCHEMBL2164232

C=C(C)C(N)=O.CCC(C)=O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.71
ALDH1A1 P00352 4/20 0.59
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
FFAR3 O14843 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 4/20 0.33
TRPA1 O75762 1/20 0.33
THRB P10828 1/20 0.33
LDHA P00338 1/20 0.30
LDHB P07195 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
Butanone SCHEMBL29010520 0.97 TDP1 (0.67) TDP1ALDH1A1ALOX15LMNABLM
Propane SCHEMBL22974974 0.88
Propane SCHEMBL28309137 0.88 TDP1 (0.80) TDP1ALDH1A1ALOX15LMNABLM
Propionic Acid SCHEMBL28272631 0.86 TDP1 (0.67) TDP1ALDH1A1ALOX15LMNABLM
Butane SCHEMBL644175 0.85 TDP1 (0.75) TDP1ALDH1A1ALOX15LMNABLM
Ethylamine SCHEMBL6856120 0.85
Alcohol SCHEMBL821322 0.85
SCHEMBL14870 0.84
SCHEMBL2128293 0.84 TDP1 (1.00) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL5708652 0.84 TDP1 (1.00) TDP1ALDH1A1ALOX15LMNABLM

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-7985789-B2 Aqueous silica-based nanocomposite polymer dispersion CRAY VALLEY S.A. (FR) 2011-07-26 US disclosed