Acetone

Acetone

SCHEMBL28537834

CC(C)=O.CO[Si](C)(CCCN)OC

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.38
CYP1A2 P05177 2/20 0.33
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
Methyl Alcohol SCHEMBL8086883 0.89
SCHEMBL37575 0.89 NFKB1 (0.32) LMNATSHRBLMNFKB1
SCHEMBL28285760 0.86 NFKB1 (0.30) NFKB1
Hydrochloric Acid SCHEMBL15329481 0.86 DNM1 (0.32) NFKB1
Ethylene SCHEMBL27902715 0.84
SCHEMBL28790367 0.82 CYP1A2 (0.38) PAOXCYP1A2GABRR3GABRPGABRD
SCHEMBL56326 0.81 NFKB1 (0.37) LMNATSHRBLMKMT2ANFKB1
SCHEMBL6855465 0.80 LMNA (0.34) LMNA
Acetone SCHEMBL2390270 0.80 PAOX (0.39) PAOXCYP1A2GABRR3GABRPGABRD
SCHEMBL9698863 0.79 DNM1 (0.40) PAOXLMNATSHRBLMKMT2A

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-108727623-B Preparation method of cellulose-based antibacterial food packaging film 北京林业大学 2021-03-19 CN disclosed