SCHEMBL4841879

SCHEMBL4841879

Cc1cccc(COCCCOCc2ccc3ccccc3n2)c1OCC#N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.42
CYSLTR2 Q9NS75 8/20 0.42
GPBAR1 Q8TDU6 5/20 0.42
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4849551 0.98 CYSLTR1 (0.44) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL4843341 0.96 CYSLTR1 (0.41) CYSLTR1CYSLTR2GPBAR1PDE10AALDH1A1
SCHEMBL4850014 0.84 SMN1; SMN2 (0.41) PDE10AALDH1A1MAPTATMSMN1; SMN2
SCHEMBL4849387 0.84 CYSLTR1 (0.41) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL6087968 0.83 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL6089203 0.82 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4889143 0.82 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL4856376 0.80 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14045451 0.80 CYSLTR1 (0.42) CYSLTR1CYSLTR2GPBAR1ALDH1A1MAPT
SCHEMBL27578244 0.79 CYSLTR1 (0.44) CYSLTR1CYSLTR2GPBAR1ALDH1A1SMN1; SMN2

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