SCHEMBL8952982

SCHEMBL8952982

CCCCOc1ccc(-c2ccc(-c3ccc(C4COC(CCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PPARD Q03181 2/20 0.33
KDM1A O60341 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
S1PR1 P21453 3/20 0.30
S1PR3 Q99500 2/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL8953198 0.97 FPR2 (0.37) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953275 0.96 FPR2 (0.36) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953242 0.96 FPR2 (0.36) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953402 0.96 FPR2 (0.36) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953130 0.96 FPR2 (0.36) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953556 0.95 FPR2 (0.35) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953136 0.95 FPR2 (0.40) FPR2PDE4APDE4BKDM1A
SCHEMBL8953752 0.94 FPR2 (0.35) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953471 0.93 FPR2 (0.37) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8953034 0.93 KDM1A (0.39) FPR2KDM1A

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