SCHEMBL4841922

SCHEMBL4841922

Cc1cccc(COCCOCc2ccc3ccccc3n2)c1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.47
GPBAR1 Q8TDU6 3/20 0.47
CYSLTR2 Q9NS75 8/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL4889143 0.96 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2PTGDR2ALDH1A1
SCHEMBL4856376 0.96 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2PTGDR2FFAR1
SCHEMBL14045448 0.89 CYSLTR1 (0.43) CYSLTR1GPBAR1CYSLTR2ALDH1A1MAPT
SCHEMBL6088899 0.87 GPBAR1 (0.61) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL6089372 0.85 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL14045451 0.85 CYSLTR1 (0.42) CYSLTR1GPBAR1CYSLTR2ALDH1A1MAPT
SCHEMBL6090709 0.85 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088575 0.84 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL4850012 0.82 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL4880708 0.82 ALDH1A1 (0.47) CYSLTR1CYSLTR2PTGDR2ALDH1A1MAPT

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-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-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed