SCHEMBL29532014

SCHEMBL29532014

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 17/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ NFKB1 P19838 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ PAX8 Q06710 1/20 0.58
▸ ABHD10 Q9NUJ1 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
SCHEMBL18836223 1.00 EIF4A1 (0.69) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414025 1.00 EIF4A1 (0.69) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL18836165 1.00 EIF4A1 (0.69) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414004 0.94 EIF4A1 (0.68) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL23226911 0.94 EIF4A1 (0.80) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414014 0.94 EIF4A1 (0.80) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL18836072 0.94 EIF4A1 (0.80) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL20496143 0.94 EIF4A1 (0.80) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414017 0.94 EIF4A1 (0.80) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL29531662 0.94 EIF4A1 (0.80) 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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