Butanone

Butanone

SCHEMBL3981180

CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC(C)=O.CCC(C)=O.CCC(C)=O.CCC(C)=O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.91
TDP1 Q9NUW8 3/20 0.91
LMNA P02545 4/20 0.55
FFAR3 O14843 2/20 0.50
TRPA1 O75762 1/20 0.47
TSHR P16473 3/20 0.40
SLC15A2 Q16348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THPO P40225 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CA1 P00915 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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 SCHEMBL548560 1.00
Butanone SCHEMBL28783911 0.96 ALDH1A1 (0.83) ALDH1A1TDP1LMNAFFAR3TRPA1
Butanone SCHEMBL10483459 0.96 ALDH1A1 (0.83) ALDH1A1TDP1LMNAFFAR3TRPA1
Butanone SCHEMBL4639960 0.96 ALDH1A1 (0.83) ALDH1A1TDP1LMNAFFAR3TRPA1
Butanone SCHEMBL1310 0.95
Butanone SCHEMBL1510153 0.95
Butanone SCHEMBL1039820 0.95 ALDH1A1 (1.00) ALDH1A1TDP1LMNAFFAR3TRPA1
Butanone SCHEMBL8379087 0.95 ALDH1A1 (1.00) ALDH1A1TDP1LMNAFFAR3TRPA1
Butanone SCHEMBL3717283 0.92 ALDH1A1 (0.77) ALDH1A1TDP1LMNAFFAR3TRPA1
Butanone SCHEMBL20558041 0.91

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-7485361-B2 Multilayered printed wiring board and manufacturing method thereof MITSUI MINING & SMELTING CO., LTD. (JP) 2009-02-03 US disclosed
US-20070102804-A1 Multilayered printed wiring board and manufacturing method thereof MITSUI MINING & SMELTING CO., LTD (JP) 2007-05-10 US disclosed