SCHEMBL6091207

SCHEMBL6091207

CCOC(=O)c1c(C)cccc1COc1cccc(OCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.50
MAPT P10636 1/20 0.48
PPARG P37231 1/20 0.48
PTGER4 P35408 3/20 0.48
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTGER3 P43115 1/20 0.46
F10 P00742 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
NR4A2 P43354 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
HIF1A Q16665 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL6087956 0.88 PTGER4 (0.55) SMPD1PTGER4PTGER3F10NR4A2
SCHEMBL6088473 0.82 HIF1A (0.57) SMPD1KMT2ANR4A2MRGPRX4HIF1A
SCHEMBL6092100 0.82 RXRA (0.51) PTGER4MEN1KMT2ANR4A2MRGPRX4
SCHEMBL6089878 0.82 CYSLTR2 (0.44) MAPTPPARGPTGER4JAK2JAK3
SCHEMBL6088897 0.81 GABRA1 (0.52) MAPTMEN1KMT2AFFAR1
SCHEMBL6088959 0.81 MAOB (0.48) SMPD1MAPTMEN1HSP90AA1KMT2A
SCHEMBL4450809 0.80 NR4A2 (0.58) SMPD1PTGER4MEN1KMT2ANR4A2
SCHEMBL5724948 0.79 KDR (0.59) MAPTPPARGFFAR1
SCHEMBL6089484 0.77 DPP4 (0.40) MAPTFFAR1MAOB
SCHEMBL6087974 0.77 HIF1A (0.58) SMPD1MAPTKMT2ANR4A2HIF1A

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