SCHEMBL4848684

SCHEMBL4848684

Cc1cccc(COCC(C)(C)COCc2ccc3ccccc3n2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.46
GPBAR1 Q8TDU6 3/20 0.46
CYSLTR2 Q9NS75 9/20 0.42
PDE10A Q9Y233 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL27578136 0.90 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL4849911 0.89 CYSLTR1 (0.48) CYSLTR1GPBAR1CYP1A2
SCHEMBL14045431 0.89 CYSLTR1 (0.39) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL4841446 0.87 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL4848359 0.87 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4850064 0.86 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL27557740 0.81 CYSLTR1 (0.44) CYSLTR1GPBAR1CYSLTR2
SCHEMBL27558202 0.81 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2
SCHEMBL27578321 0.80 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2
SCHEMBL5725146 0.79 CYSLTR1 (0.67) 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 6 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-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
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
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed