SCHEMBL13071765

SCHEMBL13071765

COc1cc(COC(=O)c2cc3c(cc2F)OC(C)(C)C=C3)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.68
▸ HSP90AA1 P07900 4/20 0.50
▸ HIF1A Q16665 10/20 0.45
▸ ODC1 P11926 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PDE7A Q13946 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE7B Q9NP56 1/20 0.41

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
SCHEMBL14666280 0.94 COXFA4 (0.61) COXFA4HSP90AA1HIF1AODC1ALDH1A1
SCHEMBL12315603 0.92 COXFA4 (0.57) COXFA4HSP90AA1HIF1AALDH1A1CYP3A4
SCHEMBL14139185 0.81 COXFA4 (1.00) COXFA4HSP90AA1HIF1AODC1PDE7A
SCHEMBL12315566 0.80 COXFA4 (0.68) COXFA4HSP90AA1HIF1AODC1PDE7A
SCHEMBL12315467 0.80 COXFA4 (0.46) COXFA4HIF1AALDH1A1CYP3A4HPGD
SCHEMBL13071290 0.80 COXFA4 (0.46) COXFA4HIF1AALDH1A1CYP3A4HPGD
SCHEMBL14666188 0.77 HSP90AA1 (0.54) COXFA4HSP90AA1HIF1AALDH1A1CYP3A4
SCHEMBL14098877 0.76 COXFA4 (0.89) COXFA4HSP90AA1HIF1AODC1PDE7A
SCHEMBL12315602 0.73 COXFA4 (0.84) COXFA4HSP90AA1HIF1A
SCHEMBL14139261 0.71 COXFA4 (0.81) COXFA4HSP90AA1HIF1A

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
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