Acetone

Acetone

SCHEMBL9580358

CC(C)=O.CO[Si](CCCNc1ccccc1)(OC)OC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
LMNA P02545 2/20 0.41
CTSK P43235 2/20 0.41
KMT2A Q03164 1/20 0.40
HIF1A Q16665 5/20 0.40
FPR2 P25090 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL41158 0.92 MAPT (0.57) ALDH1A1MAPTMTNR1AMTNR1BL3MBTL1
SCHEMBL28828211 0.92 MAPT (0.57) ALDH1A1MAPTMTNR1AMTNR1BL3MBTL1
Ammonia Solution, Strong SCHEMBL27657608 0.90 MAPT (0.55) ALDH1A1MAPTMTNR1AMTNR1BCTSK
SCHEMBL22393149 0.90 MAPT (0.55) ALDH1A1MAPTMTNR1AMTNR1BHIF1A
Hydrochloric Acid SCHEMBL21813259 0.90 MAPT (0.55) ALDH1A1MAPTMTNR1AMTNR1BL3MBTL1
Alcohol SCHEMBL28575460 0.89 MAPT (0.50) ALDH1A1MAPTMTNR1AMTNR1BKMT2A
Dimethylamine SCHEMBL5687710 0.89 MAPT (0.53) ALDH1A1MAPTMTNR1AMTNR1BCTSK
SCHEMBL8734782 0.88 ALDH1A1 (0.48) ALDH1A1MAPTMTNR1AMTNR1BPOLB
SCHEMBL57146 0.87 MAPT (0.55) ALDH1A1MAPTMTNR1AMTNR1BLMNA
SCHEMBL16666944 0.86 MAPT (0.55) ALDH1A1MAPT

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-5264523-A Silane coupler DAIKIN INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed