SCHEMBL4845138

SCHEMBL4845138

CCOC(=O)c1c(C)cc(OCc2ccccc2)cc1OCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPARG P37231 4/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.43
ALOX5 P09917 2/20 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
SCHEMBL22438746 0.91 KMT2A (0.50) L3MBTL1TDP1PPARGMEN1HSP90AA1
SCHEMBL4851469 0.88 MEN1 (0.49) MEN1KMT2AFFAR1
SCHEMBL4847059 0.88 L3MBTL1 (0.46) L3MBTL1TDP1PPARGMEN1HSP90AA1
SCHEMBL22438768 0.85 THRB (0.46) L3MBTL1TDP1MEN1HSP90AA1KMT2A
SCHEMBL1390921 0.85 HPGD (0.46) L3MBTL1TDP1PPARGMAPTMEN1
SCHEMBL31643513 0.82 L3MBTL1 (0.45) L3MBTL1TDP1PPARGMEN1HSP90AA1
SCHEMBL1390623 0.82 CYP3A4 (0.63) L3MBTL1TDP1PPARGMAPTSMN1; SMN2
SCHEMBL31643910 0.81 HPGD (0.45) L3MBTL1TDP1MAPTSMN1; SMN2MEN1
SCHEMBL4841561 0.80 CYSLTR1 (0.52) PPARGMEN1HSP90AA1KMT2AALOX5
SCHEMBL4849889 0.80 F2 (0.52) PPARGMEN1HSP90AA1KMT2AFFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed