SCHEMBL6087614

SCHEMBL6087614

Cc1cccc(COc2cccc(COCc3cc(Cl)c4ccccc4n3)c2)c1OCC#N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NPC1 O15118 1/20 0.35
NR4A2 P43354 1/20 0.35
RAB9A P51151 1/20 0.35
CYSLTR1 Q9Y271 5/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ALOX5 P09917 1/20 0.34
DHODH Q02127 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6088650 0.91 NR4A2 (0.41) NPC1NR4A2RAB9ACYSLTR1GPBAR1
SCHEMBL6089203 0.86 CYSLTR1 (0.50) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL6088343 0.79 MAPT (0.41) NPC1RAB9ACYSLTR1GPBAR1MAPT
SCHEMBL6087611 0.78 ALOX5 (0.36) NPC1NR4A2RAB9ACYSLTR1MAPT
SCHEMBL6088319 0.77 MAPT (0.43) CYSLTR1GPBAR1MAPTTP53CYSLTR2
SCHEMBL6090684 0.77 NR4A2 (0.46) NPC1NR4A2RAB9ACYSLTR1GPBAR1
SCHEMBL6089097 0.76 FFAR1 (0.45) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL6087968 0.76 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6087715 0.75 CYSLTR1 (0.40) NPC1NR4A2RAB9ACYSLTR1GPBAR1
SCHEMBL6089044 0.75 DHODH (0.38) CYSLTR1GPBAR1MAPTTP53ALOX5

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