Acetone

Acetone

SCHEMBL9738904

CC(C)=O.CC(C)=O.N=C=O.N=C=O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.39
THPO P40225 1/20 0.39
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
NFKB1 P19838 1/20 0.38
CA1 P00915 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA2 P00918 1/20 0.31
PTGS1 P23219 1/20 0.31
MMP12 P39900 1/20 0.31
CA4 P22748 1/20 0.31

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
Acetone SCHEMBL27898062 1.00 LMNA (0.55) LMNATSHRTHPOFFAR3LCK
Acetone SCHEMBL23501541 1.00
Cyclohexane SCHEMBL27799754 0.89 LMNA (0.43) LMNATSHRTHPOFFAR3LCK
Acetic Acid SCHEMBL9738645 0.87 FFAR3 (0.58) LMNATSHRTHPOFFAR3LCK
Butanedione SCHEMBL28132378 0.87 TSHR (0.58) LMNATSHRTHPOFFAR3LCK
Acetic Acid SCHEMBL11240317 0.87 FFAR3 (0.58) LMNATSHRTHPOFFAR3LCK
Acetic Acid SCHEMBL9739785 0.87 FFAR3 (0.58) LMNATSHRTHPOFFAR3LCK
Acetic Acid SCHEMBL1665995 0.87
Acetic Acid SCHEMBL28421735 0.84 FFAR3 (0.54) LMNATSHRTHPOFFAR3LCK
Acetic Acid SCHEMBL11507517 0.84 FFAR3 (0.54) LMNATSHRTHPOFFAR3LCK

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-5115048-A Coating a mold before molding a polyurethane of a diisocyanate and a polycarbonate polyol and a hardener NISSAN MOTOR CO., LTD. (JP) 1992-05-19 US disclosed