SCHEMBL17549572

SCHEMBL17549572

COc1ccc(OCC2CCC(C3CCC(C)OC3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.37
FPR2 P25090 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
SGPL1 O95470 1/20 0.34
S1PR1 P21453 1/20 0.34
GRM2 Q14416 2/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL16803018 0.91 HTR2B (0.36) HTR2AHTR2CHTR2BGRM2
SCHEMBL15445751 0.89 GRM2 (0.35) PDE4BHTR2AHTR2CHTR2BGRM2
SCHEMBL12759111 0.85 PDE4B (0.36) PDE4BFPR2HTR2AHTR2CHTR2B
SCHEMBL12759112 0.84 PDE4B (0.35) PDE4BFPR2HTR2AHTR2CHTR2B
SCHEMBL15685944 0.84 PDE4B (0.39) PDE4BHTR2AHTR2CHTR2BSGPL1
SCHEMBL15445749 0.83 HTR2C (0.34) HTR2AHTR2CHTR2BGRM2
SCHEMBL12759115 0.83 HTR2C (0.35) PDE4BFPR2HTR2AHTR2CHTR2B
SCHEMBL12759116 0.82 HTR2A (0.34) PDE4BFPR2HTR2AHTR2CHTR2B
SCHEMBL15445745 0.82 GRM2 (0.34) HTR2AHTR2CHTR2BGRM2
SCHEMBL12759114 0.82 SLC6A2 (0.34) PDE4BFPR2HTR2AHTR2CHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650572-B2 Liquid crystal composition, liquid crystal display device, and liquid crystal display DIC CORPORATION (JP) 2017-05-16 US disclosed
US-20160060524-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE, AND LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2016-03-03 US disclosed