SCHEMBL2776537

SCHEMBL2776537

Oc1[c]c2ccccc2cc1.Oc1[c]c2ccccc2cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
PTPN22 Q9Y2R2 1/20 0.34
HSD17B10 Q99714 3/20 0.33
CYP2A6 P11509 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CA2 P00918 2/20 0.33
ALOX12 P18054 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.33
POLB P06746 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
USP2 O75604 1/20 0.31
PAK1 Q13153 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPRT1 P00492 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL42059 1.00 CYP1A2 (0.37) CYP1A2PTPN22HSD17B10CYP2A6ALDH1A1
SCHEMBL7711608 0.88 ALDH1A1 (0.30) CYP1A2HSD17B10ALDH1A1CYP3A4
SCHEMBL5330004 0.80 ESR1 (0.36) TDP1ESR1ESR2CYP3A4
SCHEMBL1128294 0.79 CYP1A2 (0.43) CYP1A2HSD17B10CYP2A6ALDH1A1TDP1
SCHEMBL9474989 0.79 POLB (0.43) CYP1A2PTPN22HSD17B10CYP2A6ALDH1A1
SCHEMBL22127732 0.78 CYP1A2 (0.41) CYP1A2HSD17B10CYP2A6ALDH1A1TDP1
SCHEMBL22127724 0.78 CYP1A2 (0.41) CYP1A2HSD17B10CYP2A6ALDH1A1TDP1
SCHEMBL7646847 0.77
SCHEMBL1986723 0.76 HPRT1 (0.50) CYP1A2PTPN22HSD17B10CYP2A6ALDH1A1
SCHEMBL22127731 0.74 HPRT1 (0.54) CYP1A2PTPN22HSD17B10CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200452-A1 NOVEL CHIRAL PHOSPHORUS LIGANDS AND THE USE THEREOF IN THE PRODUCTION OF OPTICALLY ACTIVE PRODUCTS Studiengesellschaft Kohle mbH (DE) 2002-05-02 EP claimed
WO-2001009147-A1 NOVEL CHIRAL PHOSPHORUS LIGANDS AND THE USE THEREOF IN THE PRODUCTION OF OPTICALLY ACTIVE PRODUCTS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2001-02-08 WO claimed
US-5266723-A Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1993-11-30 US claimed
CN-107709497-A UV curable epoxy/acrylate adhesive compositions 3M创新有限公司 2018-02-16 CN disclosed
CN-107683316-A Method of bonding hardware to vehicle glazing 3M创新有限公司 2018-02-09 CN disclosed
EP-2222663-A1 A PROCESS FOR PREPARATION OF STABLE AMORPHOUS R-LANSOPRAZOLE Watson Pharma Private Limited (IN) 2010-09-01 EP disclosed
WO-2010079504-A2 STABLE R(+)-LANSOPRAZOLE AMINE SALT AND A PROCESS FOR PREPARING THE SAME Watson Pharma Private Limited (IN) 2010-07-15 WO disclosed
WO-2010023258-A1 METHOD FOR ANODIC DEHYDRODIMERISATION OF SUBSTITUTED ARYLALCOHOLS BASF SE (DE) 2010-03-04 WO disclosed
EP-2086955-A2 AN IMPROVED PROCESS FOR THE MANUFACTURE OF CIS(-)-LAMIVUDINE Lupin Ltd. (IN) 2009-08-12 EP disclosed
WO-2009087672-A1 A PROCESS FOR PREPARATION OF STABLE AMORPHOUS R-LANSOPRAZOLE Watson Pharma Private Limited (IN) 2009-07-16 WO disclosed
WO-2008053496-A2 AN IMPROVED PROCESS FOR THE MANUFACTURE OF CIS (-)-LAMIVUDINE LUPIN LIMITED (IN) 2008-05-08 WO disclosed
US-5510520-A Optical resolution method KANKYO KAGAKU CENTER CO., LTD. (JP) 1996-04-23 US disclosed
US-5395962-A Optical resolution method KANKYO KAGAKU CENTER CO., LTD. (JP) 1995-03-07 US disclosed
US-5380927-A Process for preparing optically active 2-aryl-alkanoic acids, in particular 2-aryl-propionic acids MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1995-01-10 US disclosed
US-5266723-A Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1993-11-30 US disclosed
US-5149620-A 5-mercapto-1,2,4-triazole derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-22 US disclosed
EP-0471498-A2 Optical resolution method KANKYO KAGAKU CENTER CO., LTD (JP) 1992-02-19 EP disclosed
EP-0259007-A1 Process for producing azo pigment Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-03-09 EP disclosed
WO-1985003514-A1 PROCESSES FOR PREPARING HYDROXYAROMATIC OLIGOMERS CONTAINING BOTH TRIAZINE AND OXAZOLINE GROUPS AND FOR PREPARING EPOXY RESINS FROM THE OLIGOMERS THE DOW CHEMICAL COMPANY (US) 1985-08-15 WO disclosed
US-4291120-A VINYLPHENOL POLYMER AS ADHESION IMPROVER FUJI PHOTO FILM CO., LTD. (JP) 1981-09-22 US disclosed