Acetone

Acetone

SCHEMBL4957341

CC(C)=O.CC(C)c1ccc2[nH]c(=O)c(C(=O)O)cc2c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.58
▸ GAA P10253 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ EIF4A3 P38919 2/20 0.48
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GPR35 Q9HC97 2/20 0.39
▸ IDH1 O75874 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38

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
SCHEMBL3661193 0.97 KDM4E (0.61) KDM4EGAAALDH1A1POLBEIF4A3
SCHEMBL31273523 0.85 EIF4A3 (0.66) KDM4EGAAALDH1A1POLBEIF4A3
SCHEMBL30547869 0.77 EIF4A3 (0.77) KDM4EGAAALDH1A1EIF4A3HSD17B10
SCHEMBL3643479 0.77 EIF4A3 (0.77) KDM4EGAAALDH1A1EIF4A3HSD17B10
SCHEMBL10969986 0.77 KDM4E (0.66) KDM4EGAAALDH1A1POLBHSD17B10
SCHEMBL31222329 0.77 ALDH1A1 (0.74) KDM4EGAAALDH1A1POLBHSD17B10
SCHEMBL29415468 0.75 KDM4E (0.63) KDM4EGAAALDH1A1POLBHSD17B10
SCHEMBL22184893 0.75 IDH1 (0.42) KDM4EALDH1A1EIF4A3HSD17B10HPGD
SCHEMBL2806050 0.75 KDM4E (0.63) KDM4EGAAALDH1A1POLBHSD17B10
SCHEMBL2310250 0.74 F7 (0.63) KDM4EGAAALDH1A1POLBGPR35

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-1871772-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2008-01-02 — — EP disclosed
WO-2006094063-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2006-09-08 — — WO disclosed
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