SCHEMBL8953790

SCHEMBL8953790

C=CC1OCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 14/20 0.39
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
PDE4A P27815 2/20 0.32
KDM1A O60341 2/20 0.32
PDE4B Q07343 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
SCHEMBL8953779 0.95 CNR2 (0.36) FPR2GABRA1GABRB2PDE4AKDM1A
SCHEMBL8953843 0.94 FPR2 (0.36) FPR2GABRA1GABRB2PDE4AKDM1A
SCHEMBL8953822 0.93 FPR2 (0.35) FPR2GABRA1GABRB2PDE4AKDM1A
SCHEMBL8953878 0.93 FPR2 (0.35) FPR2GABRA1GABRB2PDE4AKDM1A
SCHEMBL8953844 0.93 FPR2 (0.35) FPR2GABRA1GABRB2PDE4AKDM1A
SCHEMBL8953865 0.93 FPR2 (0.35) FPR2GABRA1GABRB2PDE4AKDM1A
SCHEMBL8953676 0.93 KDM1A (0.38) FPR2GABRA1GABRB2KDM1A
SCHEMBL8953933 0.89 FPR2 (0.38) FPR2PDE4AKDM1APDE4B
SCHEMBL8953868 0.89 HTR2C (0.34) FPR2PDE4APDE4B
SCHEMBL8954309 0.89 FPR2 (0.37) FPR2GABRA1GABRB2PDE4A

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