Acetone

Acetone

SCHEMBL16337585

CC(C)=O.NN.NNc1ccncc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MGLL Q99685 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31

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
Acetone SCHEMBL44218 0.99 GAA (0.38) GAAKDM4EALDH1A1GLACA12
SCHEMBL1923453 0.95 CA12 (0.38) GAAKDM4EALDH1A1GLACA12
Hydrochloric Acid SCHEMBL7062212 0.94 CA12 (0.37) GAAKDM4EALDH1A1GLACA12
SCHEMBL11036757 0.77 KDM4E (0.33) GAAKDM4EALDH1A1GLASIRT3
SCHEMBL8130177 0.77 GAA (0.36) GAAMAPK8MAPK9MAPK10CYP11B2
Acetone SCHEMBL538075 0.75 CNR2 (0.41) KDM4EALDH1A1TDP1MGLLMAPT
Acetone SCHEMBL17732269 0.73 MAPK1 (0.39) GAAKDM4EMAPK1MGLLL3MBTL1
Acetone SCHEMBL15923153 0.73 KDM4C (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15231891 0.73 RBP4 (0.43) GAAALDH1A1MGLLMAPTCYP11B2
SCHEMBL15066588 0.72 KDM4E (0.42) GAAKDM4EALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49304-E1 Compositions and method for multiplex biomarker profiling UNIVERSITY OF WASHINGTON (US) 2022-11-22 US disclosed
US-11353448-B2 Methods and compositions for quantifying metabolites and proteins from single cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-07 US disclosed
US-20210381007-A1 METHODS AND COMPOSITIONS FOR CRISPR EDITING OF CELLS AND CORRELATING THE EDITS TO A RESULTING CELLULAR NUCLEIC ACID PROFILE INSCRIPTA, INC. 2021-12-09 US disclosed
US-RE47983-E1 Compositions and methods for multiplex biomarker profiling UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2020-05-12 US disclosed
US-20160238594-A1 METHODS AND COMPOSITIONS FOR QUANTIFYING METABOLITES AND PROTEINS FROM SINGLE CELLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-08-18 US disclosed
US-9376717-B2 Compositions and methods for multiplex biomarker profiling UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-06-28 US disclosed
US-20150167064-A1 COMPOSITIONS AND METHODS FOR MULTIPLEX BIOMARKER PROFILING UNIVERSITY OF WASHINGTON (US) 2015-06-18 US disclosed
US-8946389-B2 Compositions and methods for multiplex biomarker profiling UNIVERSITY OF WASHINGTON (US) 2015-02-03 US disclosed
US-20150004598-A1 COMPOSITIONS AND METHODS FOR MULTIPLEX BIOMARKER PROFILING UNIVERSITY OF WASHINGTON (US) 2015-01-01 US disclosed