SCHEMBL14139182

SCHEMBL14139182

COc1cc(CC(=C(F)F)c2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 2/20 0.65
▸ HSP90AA1 P07900 4/20 0.54
▸ ODC1 P11926 1/20 0.46
▸ HIF1A Q16665 13/20 0.45
▸ EPAS1 Q99814 5/20 0.45

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
SCHEMBL14139181 0.89 COXFA4 (0.65) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL12315552 0.85 COXFA4 (0.74) COXFA4HSP90AA1HIF1A
SCHEMBL12315460 0.85 COXFA4 (0.67) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL12315565 0.84 COXFA4 (0.64) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL13535021 0.83 COXFA4 (0.65) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL4432826 0.82 COXFA4 (0.67) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL12315561 0.82 COXFA4 (0.67) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL4432821 0.82 COXFA4 (0.67) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL14139185 0.79 COXFA4 (1.00) COXFA4HSP90AA1ODC1HIF1AEPAS1
SCHEMBL3457885 0.78 COXFA4 (0.56) COXFA4HSP90AA1ODC1HIF1AEPAS1

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-7410998-B2 Inhibitors of NADH:ubiquinone oxidoreductase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-08-12 — — US disclosed
Send feedback