SCHEMBL13586153

SCHEMBL13586153

CCOCc1ccc(-c2ccc(CCc3ccc(C4=CCC(OC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 0.33
GRM2 Q14416 1/20 0.31

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
SCHEMBL13586374 0.91 GRM2 (0.31) GRM2
SCHEMBL13586159 0.91 GRM2 (0.31) GRM2
SCHEMBL12738733 0.89 NAAA (0.31) NAAA
SCHEMBL12823587 0.88 RORC (0.33) NAAA
SCHEMBL12823641 0.88 NAAA (0.39) NAAAGRM2
SCHEMBL12718705 0.86 NAAA (0.41) NAAAGRM2
SCHEMBL13586413 0.84 S1PR1 (0.33) GRM2
SCHEMBL12718716 0.83 BRD4 (0.31) GRM2
SCHEMBL12718735 0.83 CYP24A1 (0.36) NAAAGRM2
SCHEMBL12718040 0.81 FFAR4 (0.34) NAAAGRM2

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