Acetone

Acetone

SCHEMBL8600747

CC(C)=O.Oc1ccc2c([nH]c3ccccc32)c1O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
SRC P12931 1/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
PARP14 Q460N5 4/20 0.51
MPL P40238 2/20 0.50
FTO Q9C0B1 1/20 0.48
KIF11 P52732 3/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL1887694 0.91 SRC (0.61) APPSRCPRKACAPRKACGPRKACB
SCHEMBL30143007 0.91 SRC (0.61) APPSRCPRKACAPRKACGPRKACB
Acetic Acid SCHEMBL11537832 0.81 MPL (0.51) APPPARP14MPLFTOKIF11
Acetic Acid SCHEMBL27471236 0.78 PARP14 (0.56) APPPARP14MPLFTOKIF11
Carbazole SCHEMBL28171971 0.78 ALDH1A1 (0.70) KIF11MAPTCYP1A2POLBKDM4E
Potassium Ion SCHEMBL10354598 0.78 APP (0.52) APPPARP14MPLFTOKIF11
SCHEMBL10354781 0.78 APP (0.52) APPPARP14MPLFTOKIF11
SCHEMBL17094777 0.77 AR (0.58) APPSRCPRKACAPRKACGPRKACB
SCHEMBL5964419 0.77 KIF11 (0.56) APPPARP14MPLFTOKIF11
SCHEMBL14701007 0.77 KIF11 (0.61) APPPARP14MPLKIF11PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563287-B1 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LAB (US) 1998-02-11 EP disclosed
EP-0563287-A4 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LAB (US) 1996-01-10 EP disclosed
EP-0563287-A1 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LABORATORIES (US) 1993-10-06 EP disclosed
WO-1992011388-A1 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LABORATORIES (US) 1992-07-09 WO disclosed