SCHEMBL24180281

SCHEMBL24180281

C=C(/C=C\C(=C/C)[C@@]12Oc3cc(OCCN4CCOCC4)cc(OC)c3[C@]1(O)[C@H](O)[C@H](c1nnc(N)o1)[C@H]2c1ccccc1)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 9/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL17414026 0.82 EIF4A1 (0.50) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL18836853 0.82 EIF4A1 (0.50) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL29532120 0.76 EIF4A1 (0.51) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL18836191 0.76 EIF4A1 (0.51) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL17414024 0.76 EIF4A1 (0.51) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL24180280 0.76 PTPN1 (0.38) ESR1ESR2PGRCHRM2HTR1A
SCHEMBL24426914 0.72 EGFR (0.39) ESR2EGFRCD274KDR
SCHEMBL18836016 0.70 EIF4A1 (0.56) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL17414036 0.70 EIF4A1 (0.56) EIF4A1CYP3A4HIF1AABHD10
SCHEMBL29531842 0.70 EIF4A1 (0.56) EIF4A1CYP3A4HIF1AABHD10

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-3418273-B1 FLAVAGLINE DERIVATIVES PF MEDICAMENT (FR) 2022-01-12 — — EP disclosed
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