SCHEMBL3822007

SCHEMBL3822007

COc1cc(C(C=O)c2ccc3c(c2)CCC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.52
HSP90AA1 P07900 2/20 0.44
PDE10A Q9Y233 1/20 0.40
OPRM1 P35372 1/20 0.40
PDE4D Q08499 1/20 0.37
GHSR Q92847 1/20 0.37
MAPT P10636 2/20 0.37
PLCG2 P16885 1/20 0.37
PKM P14618 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PKLR P30613 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3815447 0.78 HSP90AA1 (0.39) COXFA4HSP90AA1MAPTHIF1A
SCHEMBL12315585 0.76 COXFA4 (0.60) COXFA4HSP90AA1PDE10AOPRM1PDE4D
SCHEMBL3456600 0.75 COXFA4 (0.59) COXFA4HSP90AA1PDE10AOPRM1GHSR
SCHEMBL13071770 0.75 COXFA4 (0.59) COXFA4HSP90AA1PDE10AOPRM1PDE4D
SCHEMBL3456766 0.75 COXFA4 (0.59) COXFA4HSP90AA1PDE10AOPRM1PDE4D
SCHEMBL12315473 0.75 COXFA4 (0.59) COXFA4HSP90AA1PDE10AOPRM1GHSR
SCHEMBL12465725 0.74 PKM (0.41) COXFA4PDE10AOPRM1MAPTPLCG2
SCHEMBL12677576 0.71 COXFA4 (0.72) COXFA4HSP90AA1PDE10AOPRM1PDE4D
SCHEMBL3822277 0.71 COXFA4 (0.68) COXFA4HSP90AA1PDE10AOPRM1PDE4D
SCHEMBL10238811 0.71 MAPT (0.45) COXFA4PDE10AOPRM1MAPTPLCG2

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
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed