SCHEMBL13071291

SCHEMBL13071291

COc1cc(CC(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.57
HSP90AA1 P07900 3/20 0.53
PDE10A Q9Y233 1/20 0.46
OPRM1 P35372 1/20 0.45
CTSB P07858 1/20 0.44
GHSR Q92847 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MGAM O43451 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
HIF1A Q16665 2/20 0.39
SSTR5 P35346 1/20 0.39
POLB P06746 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL14666295 0.88 COXFA4 (0.58) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL14665991 0.88 COXFA4 (0.58) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL12315471 0.88 COXFA4 (0.59) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL14098879 0.85 COXFA4 (0.64) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL3456476 0.85 COXFA4 (0.77) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL3456379 0.85 COXFA4 (0.64) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL12315592 0.83 HSP90AA1 (0.55) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL3456434 0.80 COXFA4 (0.62) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL13071315 0.80 COXFA4 (0.57) COXFA4HSP90AA1PDE10AOPRM1CTSB
SCHEMBL14670211 0.77 HSP90AA1 (0.49) COXFA4HSP90AA1PDE10AOPRM1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed