Acetone

Acetone

SCHEMBL12471978

CC(C)(C)OC(=O)c1ooc1C(=O)O.CC(C)=O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL4345814 0.96 CYP2C9 (0.40) CYP2C9CYP2C19NPSR1MEN1KMT2A
SCHEMBL8039496 0.87 CYP2C9 (0.40) CYP2C9CYP2C19NPSR1ACHETP53
SCHEMBL8037889 0.79 DGAT1 (0.40) CYP2C9CYP2C19NPSR1KMT2AACHE
SCHEMBL8027510 0.73 MAPT (0.45) CYP2C9CYP2C19NPSR1KMT2ACYP1A2
SCHEMBL8037839 0.72 ALDH1A1 (0.42)
SCHEMBL8040978 0.68 SMN1; SMN2 (0.43) NPSR1MEN1KMT2ATP53MAPT
SCHEMBL27093606 0.68 CYP2C9 (0.41) CYP2C9CYP2C19NPSR1MEN1KMT2A
SCHEMBL16272968 0.68 CYP2C9 (0.37) CYP2C9CYP2C19NPSR1MEN1KMT2A
SCHEMBL6580237 0.67 GRM6 (0.40) CYP2C9CYP2C19NPSR1SLC7A5HSD17B10
SCHEMBL27718695 0.67 TDP1 (0.36) MEN1KMT2ATP53MAPTALOX15

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-2670388-A2 METHOD OF MAKING OPHTHALMIC DEVICES AND COMPONENTS THEREOF FROM HYDROPHOBIC ACRYLIC (HA) POLYMERS WITH REDUCED OR ELIMINATED GLISTENINGS Key Medical Technologies, Inc. (US) 2013-12-11 EP disclosed
WO-2012106118-A2 METHOD OF MAKING OPHTHALMIC DEVICES AND COMPONENTS THEREOF FROM HYDROPHOBIC ACRYLIC (HA) POLYMERS WITH REDUCED OR ELIMINATED GLISTENINGS KEY MEDICAL TECHNOLOGIES, INC. (US) 2012-08-09 WO disclosed