SCHEMBL29531658

SCHEMBL29531658

COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)c2[nH]nc(SC)c2[C@H]3c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 16/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ABHD10 Q9NUJ1 1/20 0.49
▸ NFKB1 P19838 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ PAX8 Q06710 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL18836478 1.00 EIF4A1 (0.49) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL17414041 1.00 EIF4A1 (0.49) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL18862683 0.89 EIF4A1 (0.46) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL18862696 0.83 EIF4A1 (0.41) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL17396636 0.82 ABHD10 (0.57) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL17396638 0.82 ABHD10 (0.57) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL21852385 0.78 ABHD10 (0.53) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL21852401 0.77 ABHD10 (0.56) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL21852364 0.77 ABHD10 (0.53) EIF4A1CYP3A4HIF1AABHD10NFKB1
SCHEMBL21852374 0.77 ABHD10 (0.53) EIF4A1CYP3A4HIF1AABHD10NFKB1

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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