SCHEMBL4841561

SCHEMBL4841561

CCOC(=O)c1c(C)cc(OCc2ccccc2)cc1OCCCCOCc1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.52
CYSLTR2 Q9NS75 7/20 0.52
GPBAR1 Q8TDU6 4/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5AP P20292 2/20 0.45
PPARG P37231 1/20 0.44

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
SCHEMBL4842306 0.91 GPBAR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6087999 0.89 ALOX5 (0.55) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6090103 0.89 ALOX5 (0.55) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4846959 0.83 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088409 0.83 ALOX5 (0.55) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089493 0.82 ALOX5 (0.55) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL27578491 0.81 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14021717 0.81 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6091574 0.80 ALOX5 (0.58) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL4845138 0.80 L3MBTL1 (0.47) ALOX5MEN1HSP90AA1KMT2APPARG

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