SCHEMBL13586315

SCHEMBL13586315

COc1ccc(-c2ccc(OCc3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.39
▸ NAAA Q02083 2/20 0.38
▸ CHRM1 P11229 4/20 0.37
▸ MAOB P27338 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ APP P05067 2/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ C5AR1 P21730 1/20 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
SCHEMBL12823910 1.00 SYK (0.39) SYKNAAACHRM1MAOBHTR1A
SCHEMBL12908112 0.93 MRGPRX4 (0.40) SYKNAAAAPPFFAR1
SCHEMBL12994390 0.90 FFAR1 (0.41) SYKNAAACHRM1MAOBFFAR1
SCHEMBL12822902 0.89 FEN1 (0.35) CHRM1HTR1A
SCHEMBL12823856 0.89 FEN1 (0.35) CHRM1HTR1A
SCHEMBL12821314 0.87 FFAR4 (0.38) HTR1A
SCHEMBL13586221 0.87 FFAR4 (0.38) HTR1A
SCHEMBL12908284 0.86 FFAR1 (0.40) NAAAMAOBFFAR1
SCHEMBL12994783 0.86 FFAR4 (0.35) HTR1A
SCHEMBL12821296 0.85 FEN1 (0.37) NAAAHTR1A

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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