SCHEMBL13422267

SCHEMBL13422267

CCOc1cc(CN(CCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc2c1OC(C)(C)C=C2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 18/20 0.72
▸ EPAS1 Q99814 18/20 0.72
▸ EP300 Q09472 2/20 0.51
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL2561952 0.84 HIF1A (1.00) HIF1AEPAS1EP300
SCHEMBL16496923 0.77 HIF1A (1.00) HIF1AEPAS1EP300
SCHEMBL2565162 0.70 HIF1A (1.00) HIF1AEPAS1EP300
SCHEMBL2564691 0.69 HIF1A (1.00) HIF1AEPAS1EP300
SCHEMBL14916444 0.69 HIF1A (1.00) HIF1AEPAS1EP300
SCHEMBL3391430 0.69 HIF1A (0.65) HIF1AEPAS1EP300
SCHEMBL14930302 0.68 HIF1A (0.77) HIF1AEPAS1EP300
SCHEMBL15070037 0.67 EP300 (1.00) HIF1AEPAS1EP300
SCHEMBL16509890 0.67 HIF1A (0.75) HIF1AEPAS1EP300
SCHEMBL13422356 0.66 EP300 (0.56) HIF1AEPAS1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671085-B2 Non-steroidal farnesoid X receptor modulators and methods for the use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-03-02 — — US disclosed
US-7671085-B2 Non-steroidal farnesoid X receptor modulators and methods for the use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-03-02 — — US disclosed
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