SCHEMBL6090629

SCHEMBL6090629

Cc1cccc(COc2cccc(OCc3ccc4ccc(Cl)cc4n3)c2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.54
CYSLTR2 Q9NS75 4/20 0.54
GPBAR1 Q8TDU6 1/20 0.52
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL6088312 0.90 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1MRGPRX4
SCHEMBL5725146 0.88 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089086 0.86 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1NR4A1NR4A2
SCHEMBL6091032 0.84 NR4A2 (0.48) CYSLTR1CYSLTR2GPBAR1NR4A1NR4A2
SCHEMBL6088658 0.82 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1MRGPRX4
SCHEMBL6088777 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088567 0.81 NR4A2 (0.67) NR4A1NR4A2NR4A3MRGPRX4
SCHEMBL6088614 0.81 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1NR4A2
SCHEMBL6090336 0.80 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6088680 0.80 NR4A2 (0.62) NR4A1NR4A2NR4A3MRGPRX4

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