SCHEMBL3658596

SCHEMBL3658596

O=C(O)c1cc(-c2cc(C(C(CO)c3ccc(F)cc3Cl)C(F)(F)F)ccn2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 7/20 0.36
KMO O15229 5/20 0.36
SYK P43405 2/20 0.35
PPARG P37231 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
ULK1 O75385 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL3657778 0.94 KMO (0.36) EIF4EKMO
SCHEMBL3656807 0.88 KMO (0.39) KMOSYKKDM4C
SCHEMBL3659897 0.88 NR3C2 (0.37)
SCHEMBL3803786 0.83 MRGPRX4 (0.37) KMOKDM4CULK1
SCHEMBL3658227 0.81 MDM4 (0.38) SYK
SCHEMBL3657608 0.80 EIF4E (0.36) EIF4EKMOSYKPPARGKDM4C
SCHEMBL3658104 0.76 MRGPRX4 (0.42) KMOKDM4C
SCHEMBL3659842 0.74 KMO (0.36) EIF4EKMO
SCHEMBL837922 0.73 KMO (0.37) EIF4EKMOSYKPPARG
SCHEMBL3658899 0.72 NR1H4 (0.37) SYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed