SCHEMBL29532008

SCHEMBL29532008

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 18/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ NFKB1 P19838 1/20 0.66
▸ RELA Q04206 1/20 0.66
▸ PAX8 Q06710 1/20 0.57

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
SCHEMBL18836426 1.00 EIF4A1 (0.68) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414030 1.00 EIF4A1 (0.68) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414004 0.94 EIF4A1 (0.68) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL18836042 0.94 EIF4A1 (0.70) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL29531653 0.92 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8
SCHEMBL18836582 0.92 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8
SCHEMBL17414018 0.92 EIF4A1 (0.81) EIF4A1CYP3A4HIF1APAX8
Formic Acid SCHEMBL18836873 0.91 EIF4A1 (0.64) EIF4A1CYP3A4HIF1ANFKB1RELA
Formic Acid SCHEMBL18836876 0.91 EIF4A1 (0.64) EIF4A1CYP3A4HIF1ANFKB1RELA
Didesmethylrocaglamide SCHEMBL31489959 0.90 EIF4A1 (0.83) 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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