Acetone

Acetone

SCHEMBL4249268

CC(C)=O.NNc1ccc(C(=O)O)c(N2C(=O)CCC2=O)n1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 4/20 0.33
GLA P06280 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33

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 SCHEMBL20164099 0.99 CA12 (0.35) CA12CA1CA9POLBGLA
SCHEMBL5667071 0.96 CA12 (0.38) CA12CA1CA9POLBGABRP
Hydrochloric Acid SCHEMBL7268096 0.94 CA12 (0.37) CA12CA1CA9POLBGABRP
SCHEMBL15634880 0.85 NNMT (0.33) CA12CA1CA9CYP2C19RECQL
SCHEMBL1845191 0.74 GAA (0.42) CA12CA1CA9ALDH1A1GAA
Acetone SCHEMBL5494665 0.73 RECQL (0.54) GLACYP2C19KDM4EALDH1A1MAPT
SCHEMBL23832214 0.70 GABRP (0.59) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL1845186 0.67 CA12 (0.31) CA12CA1CA9GABRPGABRD
Acetone SCHEMBL2190153 0.67 KDM4E (0.35) CA12CA1CA9GABRPGABRD
SCHEMBL28540151 0.66 SORT1 (0.44) POLBGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102458442-B Human protein scaffolds with controlled serum pharmacokinetics 加利福尼亚大学董事会 2016-06-29 CN disclosed
CN-102014970-B 99mApplication of Tc-labeled polypeptide containing 19 amino acids as phosphatidylethanolamine-binding molecular probe and radiopharmaceutical MCW RES FOUND INC 2015-03-04 CN disclosed
US-7635423-B2 Nanosensor for the detection of an analyte in which the redox potential in solution is altered thereby causing changes in carbon nanotube conductance; does not require the binding of a binding agent and target analyte directly to the detecting nanowire or CNT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-22 US disclosed
US-20070278111-A1 Redox potential mediated, heterogeneous, carbon nanotube biosensing E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-06 US disclosed
WO-2007001402-A9 REDOX POTENTIAL MEDIATED, HETEROGENEOUS, CARBON NANOTUBE BIOSENSING DU PONT (US) 2007-03-08 WO disclosed
WO-2007001402-A2 REDOX POTENTIAL MEDIATED, HETEROGENEOUS, CARBON NANOTUBE BIOSENSING E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-04 WO disclosed
WO-2007001401-A2 SMALL MOLECULE MEDIATED, HETEROGENEOUS, CARBON NANOTUBE BIOSENSING E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-04 WO disclosed
US-20060194263-A1 Small molecule mediated, heterogeneous, carbon nanotube biosensing E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-31 US disclosed