SCHEMBL4849397

SCHEMBL4849397

COC(=O)c1c(OC)cccc1OCCCCOCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.54
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
CYSLTR2 Q9NS75 6/20 0.47
ALOX5AP P20292 2/20 0.46
GPBAR1 Q8TDU6 3/20 0.45

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
SCHEMBL4846377 0.90 CYSLTR1 (0.53) CYSLTR1HCRTR1HCRTR2CYSLTR2GPBAR1
SCHEMBL4851712 0.82 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4848377 0.82 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL6090885 0.82 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4846959 0.81 CYSLTR1 (0.53) CYSLTR1HCRTR1HCRTR2CYSLTR2GPBAR1
SCHEMBL4846550 0.81 CYSLTR1 (0.52) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL14021727 0.81 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4844970 0.80 CYSLTR1 (0.50) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL14045430 0.79 CYSLTR1 (0.46) CYSLTR1HCRTR1HCRTR2CYSLTR2GPBAR1
SCHEMBL7567908 0.76 CYSLTR1 (0.47) CYSLTR1CYSLTR2ALOX5APGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed