SCHEMBL13586128

SCHEMBL13586128

C/C=C/c1ccc(-c2ccc(OCc3ccc(-c4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.34
▸ FEN1 P39748 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KCNA3 P22001 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
SCHEMBL12823911 0.94 FFAR4 (0.35) FFAR4ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL12716905 0.88 FEN1 (0.32) FFAR4FEN1ALDH1A1MAPTKDM4E
SCHEMBL12821316 0.87 FFAR4 (0.37) FFAR4FEN1ALDH1A1MAPTKDM4E
SCHEMBL12822221 0.87 FFAR4 (0.34) FFAR4FEN1ALDH1A1MAPTKDM4E
SCHEMBL13586325 0.86 FFAR4 (0.34) FFAR4FEN1KCNA3
SCHEMBL12822373 0.86 FFAR4 (0.34) FFAR4FEN1KCNA3
SCHEMBL13586101 0.85 SYK (0.39) ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL12994477 0.85 MRGPRX4 (0.39) FFAR4FEN1MAPTMAPK1KDM4E
SCHEMBL13586179 0.83 CHKA (0.31) —
SCHEMBL13586210 0.83 RELA (0.32) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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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