SCHEMBL13654044

SCHEMBL13654044

CCOCc1ccc(-c2ccc(CCc3ccc(OC)cc3F)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40
USP7 Q93009 1/20 0.37
MAOB P27338 4/20 0.37
CALM1 P0DP23 1/20 0.35
NAAA Q02083 1/20 0.34
DAO P14920 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
ABCB1 P08183 1/20 0.33
EED O75530 1/20 0.33
CYP24A1 Q07973 1/20 0.33

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
SCHEMBL13586239 0.92 MAOB (0.39) FFAR1ESR1CYP19A1ESR2MAOB
SCHEMBL13586332 0.92 MAOB (0.39) FFAR1ESR1CYP19A1ESR2MAOB
SCHEMBL13586550 0.90 MAOB (0.40) FFAR1ESR1CYP19A1ESR2USP7
SCHEMBL13586287 0.89 MAOB (0.40) FFAR1ESR1CYP19A1ESR2MAOB
SCHEMBL13586462 0.89 MAOB (0.40) FFAR1ESR1CYP19A1ESR2USP7
SCHEMBL12718861 0.88 MAOB (0.47) FFAR1ESR1CYP19A1ESR2MAOB
SCHEMBL10303084 0.87 HCAR2 (0.36) FFAR1ESR1CYP19A1ESR2FFAR4
SCHEMBL10302015 0.87 FFAR4 (0.38) FFAR1FFAR4
SCHEMBL13654174 0.87 USP7 (0.42) FFAR1USP7MAOBNAAAEED
SCHEMBL12740167 0.87 FFAR1 (0.42) FFAR1ESR1CYP19A1ESR2USP7

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-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 WO disclosed