SCHEMBL6088959

SCHEMBL6088959

CCc1ccc(COc2cccc(OCc3cccc(C)c3C(=O)OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
HIF1A Q16665 3/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
SMPD1 P17405 1/20 0.45
APP P05067 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
NPC1 O15118 3/20 0.43
HSP90AA1 P07900 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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 0.91 HIF1A (0.57) MAOBHIF1ALMNAMRGPRX4SMPD1
SCHEMBL6087974 0.90 HIF1A (0.58) MAOBHIF1ARAB9AMAPTLMNA
SCHEMBL6092100 0.89 RXRA (0.51) MAOBHIF1AMRGPRX4RXRARXRB
SCHEMBL6088578 0.88 NR4A2 (0.57) MAOBHIF1ARAB9AMAPTLMNA
SCHEMBL6088371 0.88 RXRA (0.46) MAOBHIF1ARAB9AMAPTLMNA
SCHEMBL6088329 0.87 MAOB (0.52) MAOBHIF1ARAB9AMAPTLMNA
SCHEMBL6088416 0.87 ADAM17 (0.47) HIF1AMAPTMRGPRX4NPC1
SCHEMBL6088853 0.86 CYSLTR1 (0.43) HIF1ARAB9AMAPTLMNAMRGPRX4
SCHEMBL6088781 0.85 MAOB (0.44) MAOBHIF1ARAB9AMAPTLMNA
SCHEMBL6089138 0.84 MAOB (0.59) MAOBRAB9AMRGPRX4NPC1SMN1; SMN2

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