SCHEMBL14139406

SCHEMBL14139406

COc1ccc(C(=O)Oc2ccc3c(c2)C=CC(C)(C)O3)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.59
▸ COXFA4 O00483 1/20 0.58
▸ HIF1A Q16665 10/20 0.51
▸ EPAS1 Q99814 5/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46

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
SCHEMBL16694172 0.85 COXFA4 (0.59) COXFA4HIF1AEPAS1ALDH1A1GAA
SCHEMBL14139261 0.80 COXFA4 (0.81) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL4492932 0.80 ALDH1A1 (0.51) KMT2ACOXFA4HIF1AEPAS1MEN1
SCHEMBL16694459 0.80 HIF1A (0.64) KMT2ACOXFA4HIF1AEPAS1MEN1
SCHEMBL11398330 0.79 COXFA4 (0.62) COXFA4HIF1AEPAS1MAPTSMN1; SMN2
SCHEMBL16694311 0.78 ABCG2 (0.62) KMT2AMEN1MAPT
SCHEMBL16694310 0.78 ABCG2 (0.62) KMT2AMEN1MAPT
SCHEMBL17933739 0.78 MAPT (0.70) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL16694415 0.77 HIF1A (0.66) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL16694474 0.77 HIF1A (0.67) KMT2ACOXFA4HIF1AEPAS1MEN1

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
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