SCHEMBL6090953

SCHEMBL6090953

O=C(O)COc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.64
CYSLTR1 Q9Y271 10/20 0.63
CYSLTR2 Q9NS75 8/20 0.63
FFAR1 O14842 1/20 0.62
AKR1B1 P15121 1/20 0.62
ALOX5AP P20292 1/20 0.55
PDE10A Q9Y233 2/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL6089814 0.92 CYSLTR1 (0.65) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6583704 0.87 GPBAR1 (0.57) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6584582 0.85 CYSLTR1 (0.63) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6582094 0.85 CYSLTR1 (0.62) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6089876 0.84 GPBAR1 (0.68) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6088569 0.84 FFAR1 (0.73) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6587609 0.83 GPBAR1 (0.58) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6088899 0.83 GPBAR1 (0.61) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7454590 0.83 GPBAR1 (0.74) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6588072 0.82 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1

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 12 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-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed