SCHEMBL14766301

SCHEMBL14766301

C=CCCOc1ccc(C2CCC(COc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
KDM1A O60341 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ACACB O00763 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
SCHEMBL14765793 0.97 KDM1A (0.32) SCN9AKDM1AFFAR4
SCHEMBL14765898 0.94 KDM1A (0.34) SCN9AKDM1AFFAR4ACACB
SCHEMBL14766048 0.94 SCN9A (0.36) SCN9AKDM1A
SCHEMBL14766065 0.93 KDM1A (0.36) SCN9AKDM1AFFAR4ACACB
SCHEMBL14766808 0.92 SCN9A (0.33) SCN9AACACB
SCHEMBL14765964 0.92 SCN9A (0.33) SCN9AACACB
SCHEMBL14766703 0.91 FFAR1 (0.36) SCN9AFFAR4
SCHEMBL14767041 0.91 FFAR1 (0.34) SCN9AFFAR4ACACB
SCHEMBL14765773 0.90 KDM1A (0.35) SCN9AKDM1AFFAR4ACACB
SCHEMBL14766051 0.90 KDM1A (0.40) SCN9AKDM1AFFAR4ACACB

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