SCHEMBL6089804

SCHEMBL6089804

COC(=O)c1c(C)cccc1COc1cccc(OCc2cccc(Oc3ccccc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.50
FFAR4 Q5NUL3 2/20 0.50
HIF1A Q16665 1/20 0.49
LTA4H P09960 2/20 0.48
PLA2G2A P14555 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
MAOB P27338 2/20 0.46
PTGES O14684 1/20 0.44
CD274 Q9NZQ7 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
SCHEMBL6088473 0.92 HIF1A (0.57) HIF1AMRGPRX4MAOB
SCHEMBL6091367 0.90 FFAR1 (0.53) FFAR1FFAR4LTA4HPLA2G2AMRGPRX4
SCHEMBL6088329 0.85 MAOB (0.52) FFAR1HIF1AMRGPRX4MAOB
SCHEMBL6089138 0.85 MAOB (0.59) FFAR1FFAR4MRGPRX4MAOB
SCHEMBL6088416 0.85 ADAM17 (0.47) HIF1AMRGPRX4
SCHEMBL6088959 0.83 MAOB (0.48) HIF1AMRGPRX4MAOB
SCHEMBL6087974 0.81 HIF1A (0.58) HIF1AMAOB
SCHEMBL6088324 0.81 MAOB (0.45) HIF1AMRGPRX4MAOB
SCHEMBL6090155 0.81 NR4A2 (0.57) FFAR1FFAR4HIF1AMAOB
SCHEMBL6088841 0.81 MAPT (0.50) HIF1AMRGPRX4MAOB

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