Acetone

Acetone

SCHEMBL28066930

CC(C)=O.O=C(Cl)c1ccc(Cl)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NLRP1 Q9C000 1/20 0.48
MAPK1 P28482 2/20 0.48
GSK3B P49841 2/20 0.48
SRD5A2 P31213 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL1854 0.92 CES2 (0.65) CES2CES1TSHRALOX15CA1
SCHEMBL5757987 0.92 CES2 (0.65) CES2CES1TSHRALOX15CA1
SCHEMBL1330271 0.92 CES2 (0.65) CES2CES1TSHRALOX15CA1
Bromide SCHEMBL28583978 0.90 CES2 (0.62) CES2CES1TSHRALOX15CA1
Ammonia Solution, Strong SCHEMBL28864885 0.90 CES2 (0.62) CES2CES1TSHRALOX15CA1
Hydrochloric Acid SCHEMBL5565187 0.90 CES2 (0.62) CES2CES1TSHRALOX15CA1
Dimethylamine SCHEMBL27770145 0.88 CES2 (0.54) CES2CES1TSHRALOX15CA1
SCHEMBL7349867 0.87 CES2 (0.59) CES2CES1TSHRALOX15CA1
Alcohol SCHEMBL27902919 0.86 CES2 (0.52) CES2CES1TSHRALOX15CA1
SCHEMBL2902010 0.85 CES2 (0.56) CES2CES1TSHRALOX15CA1

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-103113294-B The synthetic method of rebamipide ZHEJIANG YUANLIJIAN PHARMACEUTICAL CO., LTD. (CN) 2016-04-27 CN disclosed