SCHEMBL6088975

SCHEMBL6088975

Cc1cccc(COc2cccc(OCc3ccc4cc(Cl)c(Cl)cc4n3)c2)c1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR2 Q9NS75 10/20 0.45
NPC1 O15118 1/20 0.43
NR4A2 P43354 1/20 0.43
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL6089086 0.90 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2NR4A2PTGDR2
SCHEMBL6091468 0.89 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2PTGDR2
SCHEMBL6089372 0.87 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6087773 0.86 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2PTGDR2
SCHEMBL6092367 0.86 LMNA (0.48) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090684 0.85 NR4A2 (0.46) CYSLTR1GPBAR1CYSLTR2NPC1NR4A2
SCHEMBL6087715 0.83 CYSLTR1 (0.40) CYSLTR1GPBAR1CYSLTR2NPC1NR4A2
SCHEMBL6090648 0.82 MEN1 (0.48) CYSLTR1GPBAR1CYSLTR2NPC1NR4A2
SCHEMBL6088575 0.82 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6582234 0.81 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2NPC1

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 3 patents. 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
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed