SCHEMBL12315602

SCHEMBL12315602

COc1cc(COC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1C

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.84
▸ HIF1A Q16665 16/20 0.47
▸ EPAS1 Q99814 10/20 0.47
▸ HSP90AA1 P07900 3/20 0.44
▸ EP300 Q09472 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
SCHEMBL14139185 0.92 COXFA4 (1.00) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL14098877 0.90 COXFA4 (0.89) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL14139261 0.89 COXFA4 (0.81) COXFA4HIF1AEPAS1HSP90AA1EP300
SCHEMBL14098881 0.88 COXFA4 (0.74) COXFA4HIF1AEPAS1HSP90AA1EP300
SCHEMBL14098880 0.85 COXFA4 (0.61) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL12315603 0.81 COXFA4 (0.57) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL14098884 0.81 COXFA4 (0.56) COXFA4HIF1AEPAS1HSP90AA1EP300
SCHEMBL12315469 0.80 COXFA4 (0.66) COXFA4HIF1AEPAS1EP300
SCHEMBL12315600 0.79 COXFA4 (0.55) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL14666009 0.78 COXFA4 (0.56) COXFA4HIF1AEPAS1HSP90AA1

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
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 — — US disclosed
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