Acetone

Acetone

SCHEMBL28199458

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAPDH P04406 1/20 0.39
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.34
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
MAPK1 P28482 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
SCHEMBL29715 0.87
SCHEMBL10786843 0.84
SCHEMBL8405269 0.84
SCHEMBL10923089 0.84
Acetone SCHEMBL21110874 0.81 TSHR (0.83) TSHRSMN1; SMN2ALDH1A1MAPK1
Maleic Acid SCHEMBL11011459 0.78 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL15187861 0.78 TSHR (0.52) TSHRSMN1; SMN2GAPDHLMNAALDH1A1
SCHEMBL1188604 0.77
SCHEMBL17494156 0.76 TSHR (0.44) TSHRSMN1; SMN2GAPDHLMNAALDH1A1
SCHEMBL2088746 0.76

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
CN-107709279-A The manufacture method of acetic acid 株式会社大赛璐 2018-02-16 CN disclosed