SCHEMBL30744079

SCHEMBL30744079

COC(=O)C1CC(OCCOc2ccc(-c3oc4c(Cl)cc(F)cc4c(=O)c3OC(F)(F)F)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 6/20 0.33
▸ CYP1A2 P05177 6/20 0.33
▸ CYP1B1 Q16678 6/20 0.33
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2B P67870 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ PPARA Q07869 4/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ ABCG2 Q9UNQ0 3/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ PPARD Q03181 3/20 0.31
▸ PPARG P37231 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL21801137 1.00 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21801144 0.95 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21801055 0.92 FFAR4 (0.36) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21801105 0.88 CSNK2A2 (0.41) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21801097 0.88 MAOB (0.31) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21886755 0.86 FFAR4 (0.32) CSNK2A2CSNK2BCSNK2A1FFAR4FFAR1
SCHEMBL21801126 0.82 MAOB (0.42) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21801218 0.79 CSNK2A2 (0.45) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21801185 0.75 MAOB (0.40) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL21886767 0.74 CSNK2A2 (0.41) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN claimed
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN disclosed
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