SCHEMBL6088023

SCHEMBL6088023

COCCOCOc1cccc(COCc2ccc3cc(OC)ccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYSLTR1 Q9Y271 5/20 0.42
GPBAR1 Q8TDU6 3/20 0.42
MAOB P27338 3/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE10A Q9Y233 2/20 0.41
APP P05067 1/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MIF P14174 1/20 0.39

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
SCHEMBL6088431 0.88 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088572 0.80 MAPT (0.44) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL10546039 0.78 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089615 0.77 ABCB1 (0.46) MAPTHTTSMN1; SMN2MAOBNPC1
SCHEMBL6089044 0.76 DHODH (0.38) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL6088343 0.76 MAPT (0.41) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL6090607 0.74 MAPT (0.46) MAPTHTTSMN1; SMN2CYSLTR1GPBAR1
SCHEMBL6089419 0.73 CYSLTR1 (0.44) MAPTHTTSMN1; SMN2CYSLTR1CYSLTR2
SCHEMBL10544867 0.73 CYSLTR1 (0.75) MAPTSMN1; SMN2CYSLTR1GPBAR1CYSLTR2
SCHEMBL10547803 0.73 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5

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