SCHEMBL20117810

SCHEMBL20117810

CCCc1ccc2c(c1F)-c1c-2cc(-c2ccc(OCC3CCC(C)OC3)c(F)c2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.32
GRM2 Q14416 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
NAAA Q02083 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
SCHEMBL20102553 0.88 FFAR4 (0.32) FFAR4
SCHEMBL20111314 0.86 SLC33A1 (0.34) FFAR4CTSLCTSSCTSKNAAA
SCHEMBL20111705 0.83 HTR2A (0.30)
SCHEMBL20117614 0.76 FGFR2 (0.32) GRM2
SCHEMBL20111698 0.76
SCHEMBL20117670 0.76 GRM2 (0.33) GRM2
SCHEMBL20111311 0.74 HTR2A (0.34) GRM2
SCHEMBL20102465 0.74 SLC6A2 (0.31)
SCHEMBL17487919 0.73 FFAR4 (0.37) FFAR4TLR9TLR8TLR7CTSL
SCHEMBL19433056 0.72 FFAR4 (0.36) FFAR4TLR9TLR8TLR7NAAA

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
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed