SCHEMBL13586394

SCHEMBL13586394

CC(O)C1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.41
▸ F10 P00742 4/20 0.37
▸ NR1H4 Q96RI1 2/20 0.36
▸ FFAR4 Q5NUL3 4/20 0.35
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 2/20 0.35
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35

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
SCHEMBL13586276 0.94 FFAR4 (0.37) FFAR1F10NR1H4FFAR4MAOB
SCHEMBL13586476 0.91 FFAR1 (0.38) FFAR1F10NR1H4FFAR4MAOB
SCHEMBL12822845 0.87 F10 (0.36) FFAR1F10NR1H4FFAR4MAOB
SCHEMBL13586391 0.87 FFAR1 (0.38) FFAR1F10NR1H4FFAR4MAOB
SCHEMBL12821293 0.86 FEN1 (0.36) FFAR1FFAR4ALOX5APFEN1
SCHEMBL12822960 0.86 FEN1 (0.36) FFAR1FFAR4ALOX5APFEN1
SCHEMBL12823864 0.86 FFAR1 (0.40) FFAR1F10FFAR4MAOBMAOA
SCHEMBL13586613 0.86 BRD4 (0.36) FFAR4
SCHEMBL12822841 0.85 FFAR1 (0.42) FFAR1F10FFAR4
SCHEMBL12822757 0.85 F10 (0.35) FFAR1F10NR1H4FFAR4MAOB

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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