SCHEMBL6090336

SCHEMBL6090336

Cc1cccc(COc2cccc(OCCc3ccc4ccccc4n3)c2)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 15/20 0.58
CYSLTR2 Q9NS75 11/20 0.58
GPBAR1 Q8TDU6 4/20 0.56

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
SCHEMBL5725146 0.92 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088001 0.90 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089697 0.89 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089840 0.84 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090266 0.83 SLC26A4 (0.46)
SCHEMBL6088989 0.82 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088614 0.82 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1
SCHEMBL5726112 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090583 0.81 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6090629 0.80 CYSLTR1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed