SCHEMBL13586558

SCHEMBL13586558

CCCc1ccc(-c2ccc(OCC3CCC(c4ccc(C5CO5)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 3/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL12823188 0.93 FPR2 (0.35) FPR2HTR2AHTR2CHTR2BPDE4B
SCHEMBL12822574 0.93 FPR2 (0.35) FPR2HTR2AHTR2CHTR2BPDE4B
SCHEMBL13586562 0.93 FPR2 (0.34) FPR2HTR2AHTR2CHTR2BPDE4B
SCHEMBL12822860 0.88 FPR2 (0.33) FPR2HTR2AHTR2CHTR2BPDE4B
SCHEMBL12823878 0.88 FPR2 (0.33) FPR2HTR2AHTR2CHTR2BPDE4B
SCHEMBL13586559 0.88 FPR2 (0.37) FPR2HTR2AHTR2CHTR2BPDE4B
SCHEMBL12736166 0.87 PPARD (0.33) HTR2AHTR2CHTR2BPDE4BSSTR5
SCHEMBL12821172 0.87 FPR2 (0.33) FPR2HTR2AHTR2CHTR2B
SCHEMBL13586118 0.87 MPL (0.34) FFAR4
SCHEMBL12736165 0.86 FFAR4 (0.36) PDE4BSSTR5KCNH2FFAR4SCN9A

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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