Acetone

Acetone

SCHEMBL2878424

CC(C)=O.COc1cc(C=O)ccc1OC(=O)C(C)C

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.62
ALDH1A1 P00352 6/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
FDPS P14324 1/20 0.53
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
HPGD P15428 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
PSMB5 P28074 1/20 0.50
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL229580 0.97 FGFR1 (0.65) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL17629454 0.97 FGFR1 (0.65) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL29473914 0.97 FGFR1 (0.65) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL13280206 0.93 FGFR1 (0.61) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL30286001 0.91 ALDH1A1 (0.64) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL20435068 0.87 ALDH1A1 (0.62) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL31053796 0.87 ALDH1A1 (0.62) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL20435069 0.87 ALDH1A1 (0.62) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL20435062 0.87 ALDH1A1 (0.62) FGFR1ALDH1A1TSHRKDM4EMAPT
SCHEMBL3277719 0.87 ALDH1A1 (0.62) FGFR1ALDH1A1TSHRKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166871-A1 TASTE POTENTIATOR COMPOSITIONS IN ORAL DELIVERY SYSTEMS Cadbury Adams USA LLC (US) 2010-03-31 EP claimed
WO-2008141333-A1 TASTE POTENTIATOR COMPOSITIONS IN ORAL DELIVERY SYSTEMS CADBURY ADAMS USA LLC (US) 2008-11-20 WO claimed