SCHEMBL27578317

SCHEMBL27578317

CCc1cccc(COCCCCN(Cc2ccc3ccccc3n2)C(C)=O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.41
GPBAR1 Q8TDU6 5/20 0.41
CYSLTR2 Q9NS75 8/20 0.41
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL27557793 0.97 CYSLTR1 (0.40) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4850041 0.91 CYSLTR1 (0.41) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4847070 0.89 CYSLTR1 (0.39) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7568755 0.87 CYSLTR1 (0.41) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4841568 0.84 CYSLTR1 (0.43) CYSLTR1CYSLTR2
SCHEMBL4848197 0.81 CYSLTR1 (0.42) CYSLTR1CYSLTR2
SCHEMBL27558048 0.80 CYSLTR1 (0.39) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL14021727 0.79 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7568749 0.78 CYSLTR1 (0.34) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4848359 0.77 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101070316-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARMA GMBH (DE) 2007-11-14 CN disclosed
CN-1331862-C Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (DE) 2007-08-15 CN disclosed
CN-1349525-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (BE) 2002-05-15 CN disclosed