SCHEMBL6089769

SCHEMBL6089769

Oc1cccc(COc2ccc3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.53
CYSLTR2 Q9NS75 2/20 0.53
GPBAR1 Q8TDU6 2/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRK1 P41145 2/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
STAT3 P40763 1/20 0.42
ADAMTS4 O75173 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL28230139 0.85 CYP3A4 (0.55) CYSLTR1CYSLTR2GPBAR1MAPTMEN1
SCHEMBL1010648 0.84 MEN1 (0.53) CYSLTR1CYSLTR2MAPTMEN1KMT2A
SCHEMBL28787263 0.84 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1MAPTMEN1
SCHEMBL14763914 0.81 CYP3A4 (0.48) CYSLTR1CYSLTR2MEN1KMT2AHTT
SCHEMBL6089190 0.78 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6627563 0.76 MEN1 (0.49) CYSLTR1CYSLTR2MAPTMEN1KMT2A
SCHEMBL8621924 0.75 LMNA (0.50) CYSLTR1CYSLTR2MAPTMEN1KMT2A
SCHEMBL9485359 0.75 ADAMTS4 (0.57) CYSLTR1CYSLTR2MAPTMEN1KMT2A
SCHEMBL15560182 0.74 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1OPRK1OPRM1
SCHEMBL6090607 0.73 MAPT (0.46) CYSLTR1CYSLTR2GPBAR1MAPTHTT

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