SCHEMBL3278792

SCHEMBL3278792

CC(C)N(O)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
MLYCD O95822 1/20 0.47
ALOX5 P09917 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.43
DAO P14920 1/20 0.42

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
SCHEMBL3285163 0.89 HPGD (0.43) MLYCDALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3278141 0.85 KMT2A (0.44) HPGDATM
SCHEMBL25890667 0.80 POLB (0.45) HSD11B1MLYCDALOX5TRPM8ALDH1A1
SCHEMBL3280473 0.80 TP53 (0.45) ALOX5ALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL458409 0.80 NPSR1 (0.59) HSD11B1MLYCDTRPM8ALDH1A1HPGD
SCHEMBL13571402 0.80 MLYCD (0.53) HSD11B1MLYCDTRPM8ALDH1A1HPGD
SCHEMBL154606 0.78 TRPM8 (0.53) HSD11B1MLYCDTRPM8ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31125741 0.78 NPSR1 (0.57) HSD11B1MLYCDTRPM8ALDH1A1HPGD
SCHEMBL394512 0.78 HSD11B1 (0.53) HSD11B1MLYCDTRPM8ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3759428 0.78 NPSR1 (0.57) HSD11B1MLYCDTRPM8ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US disclosed
US-20060217281-A1 Oxidation system containing a macrocyclic metal complex, the production thereof and its use LANXESS B.V. (NL) 2006-09-28 US disclosed
CN-1761787-A Oxidation system comprising macrocyclic metal complexes, method for the production and use thereof LANXESS B V (NL) 2006-04-19 CN disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6242245-B1 DELIGNIFICATION BY ADDING SUSPENSION OF LACCASE, OXIDANT, MEDIATOR SUCH AS VIOLURIC ACID, AND XYLANASE TO AQUEOUS SUSPENSION OF LIGNIN MATERIAL AND MIXING; MEDIATOR DOES NOT DEACTIVATE ENZYME Consortium für elektrochemische Industrie GmbH (DE) 2001-06-05 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed