SCHEMBL17180830

SCHEMBL17180830

COc1cccc(CNC(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3OC(=O)O)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 18/20 0.82
▸ CYP3A4 P08684 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ROCK2 O75116 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ PRKX P51817 1/20 0.50
▸ PRKCQ Q04759 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL17180799 0.92 EIF4E (0.81) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180810 0.91 EIF4E (0.80) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180749 0.91 EIF4E (0.78) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL14797325 0.90 EIF4E (1.00) EIF4E
SCHEMBL17180822 0.89 EIF4E (0.80) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180829 0.87 EIF4E (0.81) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180733 0.86 EIF4E (0.80) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180707 0.86 EIF4E (0.79) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180766 0.85 EIF4E (0.79) EIF4ECYP3A4MEN1LMNAPOLB
SCHEMBL17180704 0.85 EIF4E (0.78) EIF4E

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-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 — — EP claimed
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