SCHEMBL3278933

SCHEMBL3278933

CC(=O)N(O)c1cccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.44
TRPA1 O75762 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
AKR1B10 O60218 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL3285068 0.83 LMNA (0.51) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL3201714 0.81 GAA (0.41) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL5494778 0.76 TRPA1 (0.48) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL10944585 0.74 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ATSHR
Acetone SCHEMBL28082069 0.73 TRPA1 (0.55) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL5436123 0.72 NPC1 (0.49) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL5436122 0.72 NPC1 (0.49) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL28333244 0.72 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL11512487 0.72 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL1954934 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ATSHR

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825294-B2 Multicomponent system for modifying, decomposing or bleaching lignin, or lignin-containing materials and method of using this system CONSORTIUM ELEKTROCHEM IND (DE) 2005-02-09 EP claimed
US-20010018956-A1 Multi-component system for modifying, degrading or bleaching lignin, lignin-containing materials or similar substances and processes for its use CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2001-09-06 US claimed
EP-0825294-B1 Multicomponent system for modifying, decomposing or bleaching lignin, or lignin-containing materials and method of using this system CONSORTIUM ELEKTROCHEM IND (DE) 1999-09-15 EP claimed
EP-0825294-A1 Multicomponent system for modifying, decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1998-02-25 EP claimed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP 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
EP-1685183-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2006-08-02 EP disclosed
EP-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 EP disclosed
WO-2005049697-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2005-06-02 WO disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 WO 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
EP-0825294-B1 Multicomponent system for modifying, decomposing or bleaching lignin, or lignin-containing materials and method of using this system CONSORTIUM ELEKTROCHEM IND (DE) 1999-09-15 EP disclosed
EP-0913382-A1 Process for the preparation of aldehydes and ketones Consortium für elektrochemische Industrie GmbH (DE) 1999-05-06 EP disclosed
EP-0905306-A1 Multicomponent system for modifying, decomposing or bleaching lignin or lignin-containing materials and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1999-03-31 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
EP-0825294-A1 Multicomponent system for modifying, decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1998-02-25 EP disclosed