SCHEMBL29532703

SCHEMBL29532703

COc1ccc([C@@]23Oc4cc(OCCN(C)C)cc(OC)c4[C@]2(O)[C@H](O)[C@H](c2nnc(N)o2)[C@H]3c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 18/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ CYP3A4 P08684 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ABHD10 Q9NUJ1 1/20 0.53

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
SCHEMBL18836295 1.00 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414039 1.00 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18836016 0.92 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL29531842 0.92 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414036 0.92 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL24180191 0.90 EIF4A1 (0.65) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414007 0.90 EIF4A1 (0.65) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18836251 0.90 EIF4A1 (0.65) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL29532000 0.90 EIF4A1 (0.65) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL20006332 0.89 EIF4A1 (0.45) EIF4A1NFKB1RELACYP3A4HIF1A

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
Send feedback