SCHEMBL6089447

SCHEMBL6089447

Cc1cccc(COc2cccc(COc3ccc4ccccc4n3)c2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.51
CYSLTR2 Q9NS75 9/20 0.51
GPBAR1 Q8TDU6 2/20 0.48
ALOX5 P09917 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
FFAR1 O14842 1/20 0.46
SLC26A4 O43511 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
SCHEMBL6089840 0.86 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6090963 0.86 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089697 0.85 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088989 0.84 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6088826 0.83 ALOX5 (0.49) CYSLTR1CYSLTR2GPBAR1ALOX5SLC26A4
SCHEMBL5725146 0.83 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6087927 0.82 MRGPRX4 (0.53) MRGPRX4SLC26A4
SCHEMBL4450809 0.81 NR4A2 (0.58) MRGPRX4SLC26A4
SCHEMBL6091338 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6091367 0.80 FFAR1 (0.53) MRGPRX4FFAR1SLC26A4

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