SCHEMBL8944517

SCHEMBL8944517

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

nearest known ligand 0.33

Predicted protein targets (top 6)

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

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
SCHEMBL13579258 0.94 ALOX5 (0.33) HTR2CHTR2B
SCHEMBL8944586 0.92 ALOX5 (0.31) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944523 0.91 FPR2 (0.34)
SCHEMBL8943413 0.90 HTR2C (0.32) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944670 0.89 FPR2 (0.35)
SCHEMBL8954206 0.89 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944416 0.89 FPR2 (0.34)
SCHEMBL8944540 0.88 FPR2 (0.31)
SCHEMBL8944560 0.88 FPR2 (0.33)
SCHEMBL8943918 0.87 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DHTR2C

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-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
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