SCHEMBL14766554

SCHEMBL14766554

C=CCCOc1ccc(C2CCC(OCc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
NAAA Q02083 1/20 0.33
KDM1A O60341 2/20 0.32

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
SCHEMBL14766226 0.97 NAAA (0.33) SCN9ANAAAKDM1A
SCHEMBL14765876 0.94 NAAA (0.35) NAAAKDM1A
SCHEMBL14766048 0.94 SCN9A (0.36) SCN9AKDM1A
SCHEMBL14766128 0.93 KDM1A (0.36) SCN9ANAAAKDM1A
SCHEMBL14766254 0.91 SCN9A (0.32) SCN9A
SCHEMBL14766854 0.91 SCN9A (0.32) SCN9A
SCHEMBL12736649 0.91 NAAA (0.32) NAAAKDM1A
SCHEMBL14765883 0.90 KDM1A (0.40) SCN9ANAAAKDM1A
SCHEMBL14765815 0.90 NAAA (0.36) SCN9ANAAAKDM1A
SCHEMBL14765768 0.90 SCN9A (0.31) SCN9AKDM1A

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