SCHEMBL4849889

SCHEMBL4849889

CCOC(=O)c1c(C)cc(OCc2ccccc2)cc1OCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.52
C5AR1 P21730 1/20 0.44
FFAR1 O14842 5/20 0.44
PPARD Q03181 3/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PPARG P37231 1/20 0.40
MAOB P27338 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4846094 0.89 C5AR1 (0.47) F2C5AR1FFAR1PPARDMEN1
SCHEMBL22438746 0.86 KMT2A (0.50) MEN1HSP90AA1KMT2APPARGMAOB
SCHEMBL1390921 0.81 HPGD (0.46) MEN1HSP90AA1KMT2APPARGMAOB
SCHEMBL4845138 0.80 L3MBTL1 (0.47) FFAR1MEN1HSP90AA1KMT2APPARG
SCHEMBL17874263 0.79 F2 (0.47) F2C5AR1MEN1HSP90AA1KMT2A
SCHEMBL31643513 0.78 L3MBTL1 (0.45) MEN1HSP90AA1KMT2APPARGMAOB
SCHEMBL1390623 0.78 CYP3A4 (0.63) MEN1HSP90AA1KMT2APPARGMAOB
SCHEMBL4847059 0.77 L3MBTL1 (0.46) MEN1HSP90AA1KMT2APPARGMAOB
SCHEMBL7911253 0.77 PARP10 (0.56) C5AR1FFAR1PPARDMEN1KMT2A
SCHEMBL22438768 0.77 THRB (0.46) MEN1HSP90AA1KMT2A

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 6 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-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed