SCHEMBL7458445

SCHEMBL7458445

Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1[O]

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.62
GPBAR1 Q8TDU6 7/20 0.62
CYSLTR2 Q9NS75 5/20 0.61
PDE10A Q9Y233 1/20 0.53

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
SCHEMBL5725667 0.88 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7458449 0.86 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL5725146 0.85 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2
SCHEMBL5726112 0.83 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089372 0.82 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6087968 0.80 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL6087603 0.80 CYSLTR1 (0.64) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7469798 0.80 CYSLTR1 (0.40) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL7714863 0.80 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7459008 0.80 CYSLTR1 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed