SCHEMBL6090607

SCHEMBL6090607

COCCOCOc1cccc(COc2ccc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYSLTR1 Q9Y271 5/20 0.46
GPBAR1 Q8TDU6 4/20 0.46
CYSLTR2 Q9NS75 3/20 0.44
ALOX5 P09917 1/20 0.41
NOS1 P29475 3/20 0.40
NOS2 P35228 2/20 0.40

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
SCHEMBL6088431 0.85 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL10546039 0.79 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6087528 0.74 CYSLTR2 (0.64) MAPTCYSLTR1CYSLTR2
SCHEMBL6087530 0.74 CYSLTR2 (0.64) MAPTCYSLTR1CYSLTR2
SCHEMBL28230139 0.74 CYP3A4 (0.55) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL27696506 0.74 MAPT (0.59) MAPTSMN1; SMN2CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088023 0.74 MAPT (0.46) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL6089769 0.73 CYSLTR1 (0.53) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL6089044 0.73 DHODH (0.38) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL6089615 0.73 ABCB1 (0.46) MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-0780340-B1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORP (US) 2002-03-20 EP disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
US-6287634-B1 INTERCALATION A PHYLLOSILICATE; CONTROLLING MOISTURE CONCENTRATION AMCOL INTERNATIONAL CORPORATION 2001-09-11 US disclosed
US-6242500-B1 Intercalates and exfoliates formed with long chain (C6+) or aromatic matrix polymer-compatible monomeric, oligomeric or polymeric intercalant compounds, and composite materials containing same AMCOL INTERNATIONAL CORPORATION 2001-06-05 US disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
US-6124365-A USEFUL AS PLASTICIZERS AND FOR PROVIDING INCREASED VISCOSITY AND ELASTICITY TO THERMOPLASTIC AND THERMOSETTING POLYMERS, E.G., FOR PLASTICIZING POLYVINYL CHLORIDE; FOR FOOD WRAP HAVING IMPROVED GAS IMPERMEABILITY AMCOL INTERNATIOANL CORPORATION (US) 2000-09-26 US disclosed
US-6057396-A INTERCALATE HAVING MOLAR RATIO OF MODIFIER TO INTERLAYER CATION OF ONE TO FIVE TO ACHIEVE SORPTION AND COMPLEXING BETWEEN ADJACENT LAYERS OF MATERIAL TO EXPAND SPACING AMCOL INTERNATIONAL CORPORATION (US) 2000-05-02 US disclosed
US-5952095-A AN INTERCALATED PHYLLOSILICATE COMPLEX CAN BE COMBINED WITH AN ORGANIC LIQUID INTO A VISCOUS CARRIER MATERIAL, FOR DELIVERY AN ACTIVE MATERIAL, OR AS PLASTICIZERS FOR AN POLYMER TO FORM A STRONG, FILLED POLYMER MATRIX AMCOL INTERNATIONAL CORPORATION (US) 1999-09-14 US disclosed
EP-0846662-A2 Intercalates and exfoliates, their process of manufacture and composites containing them AMCOL INTERNATIONAL CORPORATION (US) 1998-06-10 EP disclosed
EP-0846661-A2 Intercalates formed by co-intercalation of monomer, oligomer or polymer intercalants and surface modifier intercalants and layered materials and nanocomposites prepared with the intercalates AMCOL INTERNATIONAL CORPORATION (US) 1998-06-10 EP disclosed
EP-0846660-A2 Intercalates and exfoliates formed with long chain monomeric organic intercalant compounds having at least ten carbon atoms and composite materials containing same AMCOL INTERNATIONAL CORPORATION (US) 1998-06-10 EP disclosed
EP-0780340-A1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORPORATION (US) 1997-06-25 EP disclosed