SCHEMBL29531644

SCHEMBL29531644

COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](NC=O)[C@H]3c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 17/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ NFKB1 P19838 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ ABHD10 Q9NUJ1 1/20 0.64
▸ PAX8 Q06710 1/20 0.61

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
SCHEMBL24426917 1.00 EIF4A1 (0.73) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL20006312 1.00 EIF4A1 (0.73) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414015 1.00 EIF4A1 (0.73) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414006 0.89 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL29532144 0.89 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL18836344 0.89 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL29532041 0.88 EIF4A1 (0.76) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL24180155 0.88 EIF4A1 (0.76) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414044 0.88 EIF4A1 (0.76) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414027 0.87 EIF4A1 (0.72) EIF4A1CYP3A4HIF1ANFKB1RELA

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-3998257-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2022-05-18 — — EP disclosed
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