SCHEMBL8948295

SCHEMBL8948295

CCCCOc1ccc(-c2ccc(-c3ccc(C4OCC(CCC)CO4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.34
PPARD Q03181 2/20 0.33
KDM1A O60341 2/20 0.32
S1PR1 P21453 3/20 0.30
S1PR3 Q99500 2/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8948185 0.97 FPR2 (0.35) FPR2PPARDKDM1AALOX5APFEN1
SCHEMBL8948275 0.96 FPR2 (0.35) FPR2PPARDKDM1A
SCHEMBL8948294 0.96 FPR2 (0.35) FPR2PPARDKDM1A
SCHEMBL8948323 0.96 FPR2 (0.35) FPR2PPARDKDM1A
SCHEMBL8948297 0.96 FPR2 (0.35) FPR2PPARDKDM1A
SCHEMBL8948466 0.95 FPR2 (0.33) FPR2PPARDKDM1AS1PR1S1PR3
SCHEMBL8948203 0.95 FPR2 (0.38) FPR2KDM1APDE4B
SCHEMBL8948506 0.94 FPR2 (0.33) FPR2PPARDKDM1A
SCHEMBL8948452 0.93 FPR2 (0.35) FPR2PPARDKDM1AALOX5APFEN1
SCHEMBL8948385 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