SCHEMBL2969909

SCHEMBL2969909

CC(O)Cc1cccc(CC(C)OO)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SLC7A5 Q01650 2/20 0.39
TRPA1 O75762 2/20 0.38
PNMT P11086 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 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
SCHEMBL2969179 0.92 TAAR1 (0.45) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL11094905 0.88 GABRA1 (0.33) TRPA1LMNAGABRA1GABRB2
SCHEMBL2965194 0.86 PNMT (0.47) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL9898783 0.84 TRPA1 (0.38) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL9174490 0.84 HTR2A (0.43) SIGMAR1GABRA1GABRB2
SCHEMBL9897167 0.82 SIGMAR1 (0.39) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL7718233 0.81 ENPP2 (0.47) TAAR1SLC6A2SLC6A4SLC6A3GABRA1
SCHEMBL2971228 0.80 HDAC4 (0.41) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL9771947 0.80 TAAR1 (0.54) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL28334721 0.80 ALOX15 (0.32) TAAR1SLC6A2MAOASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468723-A1 METHOD FOR HANDLING AN AQUEOUS SOLUTION CONTAINING A WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDES, AND METHOD FOR MANUFACTURING HYDROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2012-06-27 EP claimed
US-20120149942-A1 METHOD FOR HANDLING AQUEOUS SOLUTION CONTAINING WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDE, AND METHOD FOR MANUFACTURING HYDROXYBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-14 US claimed
US-5962747-A OXIDIZING 1,3-DIISOPROPYLBENZENE; EXTRACTION; CIRCULATION SUMITOMO CHEMICAL CO., LTD. (JP) 1999-10-05 US claimed
US-5959155-A 1,3-DI-(2-HYDROPEROXY-2-PROPYL)BENZENE AND 3-(2-HYDROXY-2-PROPYL)-1-(2-HYDROPEROXY-2-PROPYL)BENZENE ARE EXTRACTED; USING METHYL ISOBUTYL KETONE CONTAINING NOT MORE THAN 10 PPM BY WEIGHT OF A PHENOL OR PHENOLS AS A SOLVENT. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-28 US claimed
JP-10175949-A None JP disclosed
EP-2468723-A1 METHOD FOR HANDLING AN AQUEOUS SOLUTION CONTAINING A WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDES, AND METHOD FOR MANUFACTURING HYDROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2012-06-27 EP disclosed
US-20120149942-A1 METHOD FOR HANDLING AQUEOUS SOLUTION CONTAINING WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDE, AND METHOD FOR MANUFACTURING HYDROXYBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-14 US disclosed
US-7763755-B2 Continuous liquid phase peroxidation of m-diiopropylbenzene tom-(2-hydroperoxy-2-propyl)benzene by extracting the reaction liquid with an alkaline aqueous solution; recyclingby-products contained in oil layer and reacting at a higher temperature; efficiency SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-27 US disclosed
US-20090203943-A1 Continuous liquid phase peroxidation of m-diiopropylbenzene tom-(2-hydroperoxy-2-propyl)benzene by extracting the reaction liquid with an alkaline aqueous solution; recyclingby-products contained in oil layer and reacting at a higher temperature; efficiency SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
EP-1988074-A1 PROCESS FOR PRODUCTION OF DIALKYLHYDROPEROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2008-11-05 EP disclosed
JP-2007084445-A METHOD FOR PRODUCING 1,3-DI-(2-HYDROPEROXY-2-PROPYL)-BENZENE SUMITOMO CHEMICAL CO LTD 2007-04-05 JP disclosed
US-6960698-B2 Method for treating tar SUMITOMO CHEMICAL COMPNAY, LIMTED (JP) 2005-11-01 US disclosed
US-6369278-B2 OXIDIZING AROMATIC HYDROCARBON SUBSTITUTED WITH ALKYL GROUP TO FORM REACTION MIXTURE CONTAINING HYDROPEROXIDE, EXTRACTING HYDROPEROXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-09 US disclosed
US-20010025125-A1 Process for producing hydroxyaromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-27 US disclosed
US-20010004673-A1 Process for preparing extract containing at least one hydroperoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-21 US disclosed
US-5962747-A OXIDIZING 1,3-DIISOPROPYLBENZENE; EXTRACTION; CIRCULATION SUMITOMO CHEMICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5959155-A 1,3-DI-(2-HYDROPEROXY-2-PROPYL)BENZENE AND 3-(2-HYDROXY-2-PROPYL)-1-(2-HYDROPEROXY-2-PROPYL)BENZENE ARE EXTRACTED; USING METHYL ISOBUTYL KETONE CONTAINING NOT MORE THAN 10 PPM BY WEIGHT OF A PHENOL OR PHENOLS AS A SOLVENT. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-28 US disclosed
US-5959155-A 1,3-DI-(2-HYDROPEROXY-2-PROPYL)BENZENE AND 3-(2-HYDROXY-2-PROPYL)-1-(2-HYDROPEROXY-2-PROPYL)BENZENE ARE EXTRACTED; USING METHYL ISOBUTYL KETONE CONTAINING NOT MORE THAN 10 PPM BY WEIGHT OF A PHENOL OR PHENOLS AS A SOLVENT. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-28 US disclosed
JP-H10175949-A EXTRACTION OF HYDROPEROXIDE SUMITOMO CHEM CO LTD 1998-06-30 JP disclosed
CN-1185434-A Extraction method for hydroperoxide SUMITOMO CHEMICAL CO (JP) 1998-06-24 CN disclosed