SCHEMBL6437548

SCHEMBL6437548

ClC1=COc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.46
MTNR1A P48039 1/20 0.36
ALOX5 P09917 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL8061628 0.79 MAPK1 (0.53) AHRCYP2A6TSHR
SCHEMBL10696526 0.70 MTNR1A (0.36) AHRMTNR1AALOX5MAOAMAOB
SCHEMBL10637475 0.70 MTNR1A (0.40) AHRMTNR1AALOX5MAOAMAOB
SCHEMBL17577921 0.70 MTNR1A (0.40) AHRMTNR1AALOX5MAOAMAOB
SCHEMBL4976768 0.70 MTNR1A (0.36) AHRMTNR1AALOX5MAOAMAOB
SCHEMBL7198393 0.70 AHR (0.43) AHRMTNR1AALOX5MAOAMAOB
SCHEMBL2362430 0.69 AHR (0.57) AHRALOX5MAOAMAOBABCG2
SCHEMBL8932796 0.69 AHR (0.57) AHRALOX5MAOAMAOBABCG2
SCHEMBL23633181 0.68 MTNR1A (0.35) AHRMTNR1AALOX5MAOAMAOB
SCHEMBL6483538 0.68 MTNR1A (0.39) AHRMTNR1AALOX5MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888153-B1 METHOD FOR HOT AND SUPERCRITICAL WATER OXIDATION OF MATERIAL USING SPECIFIC REACTANTS STANFORD RES INST INT (US) 2000-07-12 EP claimed
EP-3188743-B1 TREATMENT OF HEPATIC AND CEREBRAL TOXICITY CAUSED BY AT LEAST ONE POLLUTANT UNIV GRENOBLE ALPES (FR) 2020-11-18 EP disclosed
EP-3188743-A1 TREATMENT OF HEPATIC AND CEREBELLAR TOXICITY INDUCED BY AT LEAST ONE POLLUTANT Université Joseph Fourier (FR) 2017-07-12 EP disclosed
WO-2016034828-A1 TREATMENT OF HEPATIC AND CEREBELLAR TOXICITY INDUCED BY AT LEAST ONE POLLUTANT UNIVERSITE JOSEPH FOURIER (FR) 2016-03-10 WO disclosed
US-20050209498-A1 Methods for detoxifying polychloro-organic wastes NEUROK, LLC 2005-09-22 US disclosed
US-20050000915-A1 In situ water treatment YOKOSAWA HIROTSUGU (JP) 2005-01-06 US disclosed
EP-0645172-B1 Method and catalyst for treating exhaust gases containing dioxines N E CHEMCAT CORP (JP) 2003-03-19 EP disclosed
JP-2003010843-A TREATMENT METHOD FOR DIOXIN-POLLUTED WATER MIYAMA KK 2003-01-14 JP disclosed
WO-2001096247-A1 SUPERCRITICAL WATER OXIDATION WITH REDUCED CORROSION AND ENHANCED OXIDATION RATE AUBURN UNIVERSITY (US) 2001-12-20 WO disclosed
EP-0888153-B1 METHOD FOR HOT AND SUPERCRITICAL WATER OXIDATION OF MATERIAL USING SPECIFIC REACTANTS STANFORD RES INST INT (US) 2000-07-12 EP disclosed
US-5783515-A GROUP 8 METAL, ALLOY OR OXIDE ON SUPPORT N.E. CHEMCAT CORPORATION 1998-07-21 US disclosed
US-5746926-A Method for hydrothermal oxidation of halogenated organic compounds with addition of specific reactants SRI INTERNATIONAL (US) 1998-05-05 US disclosed
US-5746926-A Method for hydrothermal oxidation of halogenated organic compounds with addition of specific reactants SRI INTERNATIONAL (US) 1998-05-05 US disclosed
WO-1997034660-B1 METHOD FOR HOT AND SUPERCRITICAL WATER OXIDATION OF MATERIAL USING SPECIFIC REACTANTS 1997-10-30 WO disclosed
US-5674697-A High sensitivity immunoassay for polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans ECOCHEM RESEARCH, INC. (US) 1997-10-07 US disclosed
WO-1997034660-A1 METHOD FOR HOT AND SUPERCRITICAL WATER OXIDATION OF MATERIAL USING SPECIFIC REACTANTS SRI INTERNATIONAL (US) 1997-09-25 WO disclosed
WO-1997034660-A1 METHOD FOR HOT AND SUPERCRITICAL WATER OXIDATION OF MATERIAL USING SPECIFIC REACTANTS SRI INTERNATIONAL (US) 1997-09-25 WO disclosed
EP-0645172-A1 Method and catalyst for treating exhaust gases containing dioxines N.E. CHEMCAT CORPORATION (JP) 1995-03-29 EP disclosed
EP-0156195-B1 METHOD FOR THE PREPARATION OF 2,2,3,3-TETRACHLORO-2,3-DIHYDRO-1,4-BENZODIOXINES, AND THE COMPOUND 6-ISOCYANATO-2,2,3,3-TETRACHLORO-2,3-DIHYDRO-1,4-BENZODIOXINE BAYER AG (DE) 1988-05-11 EP disclosed
EP-0156195-A1 Method for the preparation of 2,2,3,3-tetrachloro-2,3-dihydro-1,4-benzodioxines, and the compound 6-isocyanato-2,2,3,3-tetrachloro-2,3-dihydro-1,4-benzodioxine BAYER AG (DE) 1985-10-02 EP disclosed