SCHEMBL6088901

SCHEMBL6088901

CC(=O)Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.56
CYSLTR1 Q9Y271 9/20 0.53
CYSLTR2 Q9NS75 6/20 0.53
ALOX5 P09917 3/20 0.53
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
PDE10A Q9Y233 3/20 0.51

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
SCHEMBL6088899 0.86 GPBAR1 (0.61) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL9026288 0.86 GPBAR1 (0.69) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL9828722 0.81 ALOX5 (0.59) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL6089372 0.80 CYSLTR1 (0.62) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6088575 0.79 CYSLTR1 (0.54) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9828397 0.78 FFAR1 (0.64) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL9428166 0.78 CYSLTR1 (0.66) GPBAR1CYSLTR1CYSLTR2ALOX5PDE10A
SCHEMBL6089659 0.78 CYSLTR1 (0.52) GPBAR1CYSLTR1CYSLTR2ALOX5FFAR1
SCHEMBL6089253 0.78 CYSLTR1 (0.59) GPBAR1CYSLTR1CYSLTR2
SCHEMBL5725146 0.77 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2

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 11 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
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