SCHEMBL14922504

SCHEMBL14922504

CCCCOc1ccc(C2=CCC(c3ccc(C4CCC(c5ccc(OCCCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL14922600 0.98 SCN9A (0.34) SCN9A
SCHEMBL14922592 0.98 SCN9A (0.34) SCN9A
SCHEMBL14922505 0.98 SCN9A (0.32) SCN9A
SCHEMBL15381587 0.97 FPR2 (0.32) SCN9A
SCHEMBL15381513 0.97 FPR2 (0.32) SCN9A
SCHEMBL14922514 0.96 MEN1 (0.32) SCN9A
SCHEMBL1242654 0.96 MEN1 (0.32) SCN9A
SCHEMBL12196622 0.95 SCN9A (0.33) SCN9AALOX5APFEN1
SCHEMBL12196644 0.95 SCN9A (0.33) SCN9AALOX5APFEN1
SCHEMBL15381685 0.94 FPR2 (0.33) SCN9A

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 US disclosed