SCHEMBL6090648

SCHEMBL6090648

Cc1cccc(COc2cccc(OCc3cnc4ccccc4n3)c2)c1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYSLTR1 Q9Y271 9/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
CYSLTR2 Q9NS75 6/20 0.46
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
NR4A2 P43354 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL6089372 0.89 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090684 0.86 NR4A2 (0.46) MEN1KMT2ACYSLTR1GPBAR1PTGDR2
SCHEMBL6088614 0.85 CYSLTR1 (0.50) MEN1KMT2ACYSLTR1GPBAR1CYSLTR2
SCHEMBL6089340 0.84 PTGDR2 (0.48) PTGDR2LMNANPC1NR4A2RAB9A
SCHEMBL6088575 0.83 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL5725667 0.82 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2LMNA
SCHEMBL6092205 0.82 PTGDR2 (0.53) PTGDR2LMNANPC1NR4A2RAB9A
SCHEMBL6088899 0.82 GPBAR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088319 0.82 MAPT (0.43) MEN1KMT2ACYSLTR1GPBAR1CYSLTR2
SCHEMBL6088975 0.82 CYSLTR1 (0.46) CYSLTR1GPBAR1PTGDR2CYSLTR2NPC1

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