SCHEMBL4846377

SCHEMBL4846377

COc1cccc(OCCCCOCc2ccc3ccccc3n2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.53
CYSLTR2 Q9NS75 6/20 0.53
GPBAR1 Q8TDU6 6/20 0.51
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48

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
SCHEMBL4849397 0.90 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1HCRTR1HCRTR2
SCHEMBL4851712 0.89 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14021727 0.88 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089926 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14045430 0.80 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1HCRTR1HCRTR2
SCHEMBL4846959 0.80 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1HCRTR1HCRTR2
SCHEMBL4848359 0.80 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4850064 0.79 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL4841446 0.78 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1
SCHEMBL14021745 0.78 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1

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
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