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Sugi Predict / Compounds / SCHEMBL13586476

SCHEMBL13586476

SCHEMBL13586476

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.38
▸ F10 P00742 4/20 0.34
▸ NR1H4 Q96RI1 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33
▸ ALOX5AP P20292 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 2/20 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
SCHEMBL12719392 0.95 FFAR1 (0.35) FFAR1F10NR1H4FFAR4ALOX5AP
SCHEMBL13586394 0.91 FFAR1 (0.41) FFAR1F10NR1H4FFAR4ALOX5AP
SCHEMBL12823897 0.89 FFAR1 (0.40) FFAR1F10NR1H4FFAR4ALOX5AP
SCHEMBL12822363 0.87 FFAR1 (0.40) FFAR1F10
SCHEMBL12822913 0.87 FEN1 (0.34) ALOX5APFEN1
SCHEMBL13586281 0.87 FEN1 (0.34) ALOX5APFEN1
SCHEMBL12718399 0.87 BRD4 (0.34) —
SCHEMBL12823908 0.86 FFAR1 (0.40) FFAR1F10FFAR4ALOX5APFEN1
SCHEMBL12822757 0.85 F10 (0.35) FFAR1F10NR1H4FFAR4ALOX5AP
SCHEMBL13586276 0.85 FFAR4 (0.37) FFAR1F10NR1H4FFAR4ALOX5AP

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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