SCHEMBL21886755

SCHEMBL21886755

O=CC1CC(OCCOc2ccc(-c3oc4c(Cl)cc(F)cc4c(=O)c3OC(F)(F)F)cc2)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.32
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ SCN5A Q14524 1/20 0.30

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
SCHEMBL21801055 0.88 FFAR4 (0.36) FFAR4CSNK2A2CSNK2BCSNK2A1FFAR1
SCHEMBL21886767 0.87 CSNK2A2 (0.41) FFAR4CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801137 0.86 CYP1A1 (0.33) FFAR4CSNK2A2CSNK2BCSNK2A1FFAR1
SCHEMBL30744079 0.86 CYP1A1 (0.33) FFAR4CSNK2A2CSNK2BCSNK2A1FFAR1
SCHEMBL21801144 0.81 CYP1A1 (0.33) CSNK2A2CSNK2BCSNK2A1
SCHEMBL21886453 0.81 ABCG2 (0.41) —
SCHEMBL21801218 0.75 CSNK2A2 (0.45) FFAR4CSNK2A2CSNK2BCSNK2A1
SCHEMBL21886432 0.75 ADORA3 (0.33) —
SCHEMBL21801105 0.73 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1
SCHEMBL21801097 0.73 MAOB (0.31) CSNK2A2CSNK2BCSNK2A1

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
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — WO disclosed
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