SCHEMBL8933489

SCHEMBL8933489

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CNR2 P34972 2/20 0.36
RARB P10826 1/20 0.34
CNR1 P21554 1/20 0.34
FPR2 P25090 3/20 0.33
FASN P49327 1/20 0.33
PPARD Q03181 1/20 0.32
PTPN11 Q06124 2/20 0.32
KDM1A O60341 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL8933483 1.00 GABRA1 (0.36) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8933543 1.00 GABRA1 (0.36) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8933310 1.00 GABRA1 (0.36) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8933308 0.99 GABRA1 (0.37) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8959290 0.97 GABRA1 (0.35) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8959274 0.97 GABRA1 (0.35) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8959291 0.97 GABRA1 (0.35) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8959281 0.97 GABRA1 (0.35) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8959270 0.96 GABRA1 (0.35) GABRA1GABRB2CNR2RARBCNR1
SCHEMBL8933299 0.96 CNR2 (0.37) GABRA1GABRB2CNR2CNR1FPR2

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