SCHEMBL8944184

SCHEMBL8944184

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCCCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
FPR2 P25090 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
SCHEMBL8943918 0.99 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8943413 0.93 HTR2C (0.32) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944006 0.91 FPR2 (0.35) FPR2
SCHEMBL8944200 0.91 FPR2 (0.35) FPR2
SCHEMBL8944391 0.91 FPR2 (0.35) FPR2
SCHEMBL8944098 0.91 FPR2 (0.35) FPR2
SCHEMBL8944113 0.91 FPR2 (0.35) FPR2
SCHEMBL8943949 0.91 FPR2 (0.35) FPR2
SCHEMBL8943876 0.91 FPR2 (0.35) FPR2
SCHEMBL8944272 0.91 FPR2 (0.33) PDE4APDE4BPDE4CPDE4DFPR2

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed