SCHEMBL4846959

SCHEMBL4846959

CCOC(=O)c1c(C)cccc1OCCCCOCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.53
CYSLTR2 Q9NS75 6/20 0.53
GPBAR1 Q8TDU6 4/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL4851712 0.89 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1NPC1MAPT
SCHEMBL14045430 0.86 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1HCRTR1HCRTR2
SCHEMBL4841561 0.83 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6092289 0.82 ALOX5 (0.58) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL14021727 0.81 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1NPC1MAPT
SCHEMBL4849397 0.81 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1HCRTR1HCRTR2
SCHEMBL4846377 0.80 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1HCRTR1HCRTR2
SCHEMBL4848377 0.80 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4848359 0.80 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4846550 0.79 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1

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