SCHEMBL14766901

SCHEMBL14766901

C=CCCOc1ccc(C2CCC(OC(=O)c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.34
LSS P48449 1/20 0.32
GRM2 Q14416 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PTPN1 P18031 1/20 0.31
NTSR1 P30989 1/20 0.30
ATM Q13315 1/20 0.30
HRH2 P25021 1/20 0.30
ACACB O00763 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
CRBN Q96SW2 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
SCHEMBL14767039 1.00 SCN9A (0.37) SCN9AKDM4ELSSGRM2CNR1
SCHEMBL14766263 0.97 SCN9A (0.36) SCN9AKDM4ELSSGRM2CNR1
SCHEMBL14767166 0.97 SCN9A (0.36) SCN9AKDM4ELSSGRM2CNR1
SCHEMBL14766626 0.94 KDM4E (0.37) SCN9AKDM4EGRM2NTSR1ATM
SCHEMBL14766864 0.94 KDM4E (0.37) SCN9AKDM4EGRM2NTSR1ATM
SCHEMBL14766323 0.93 SCN9A (0.40) SCN9AKDM4EGRM2CNR1CNR2
SCHEMBL14767196 0.93 SCN9A (0.40) SCN9AKDM4EGRM2CNR1CNR2
SCHEMBL14766130 0.92 SCN9A (0.37) SCN9AKDM4ECRBN
SCHEMBL14767067 0.90 SCN9A (0.37) SCN9AGRM2CNR1CNR2LMNA
SCHEMBL14767242 0.90 SCN9A (0.39) SCN9AKDM4EGRM2CNR1CNR2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed