SCHEMBL4844970

SCHEMBL4844970

COC(=O)c1c(C)cccc1COCCCOCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.50
CYSLTR2 Q9NS75 5/20 0.44
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5AP P20292 2/20 0.41
GPBAR1 Q8TDU6 3/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4848377 0.98 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL4846550 0.97 CYSLTR1 (0.52) CYSLTR1CYSLTR2ALOX5APGPBAR1
SCHEMBL7567908 0.96 CYSLTR1 (0.47) CYSLTR1CYSLTR2MAPTTDP1ALOX5AP
SCHEMBL4841446 0.89 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1CYP1A2
SCHEMBL4849911 0.87 CYSLTR1 (0.48) CYSLTR1MAPTTDP1ALOX5APGPBAR1
SCHEMBL4848359 0.87 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4848197 0.86 CYSLTR1 (0.42) CYSLTR1CYSLTR2MAPTTDP1ALOX5AP
SCHEMBL14045446 0.86 CYSLTR1 (0.43) CYSLTR1CYSLTR2MAPTALOX5APGPBAR1
SCHEMBL4850064 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4841568 0.85 CYSLTR1 (0.43) CYSLTR1CYSLTR2MAPTTDP1ALOX5AP

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 5 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
EP-1177187-B1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 EP 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