SCHEMBL14767131

SCHEMBL14767131

CCCCOc1ccc(OC(=O)C2CCC(c3ccc(C4CCC(OCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
FAAH O00519 2/20 0.35
CRBN Q96SW2 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HCRTR2 O43614 1/20 0.34
HPGD P15428 1/20 0.33
FFAR1 O14842 4/20 0.33
PPARD Q03181 3/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL14766721 0.97 SCN9A (0.39) SCN9AFAAHCRBNTHRATHRB
SCHEMBL14767272 0.94 HPGD (0.37) SCN9AFAAHCRBNRAB9ANPC1
SCHEMBL14767158 0.93 FAAH (0.39) SCN9AFAAHCRBNRAB9ANPC1
SCHEMBL14767239 0.91 SCN9A (0.36) SCN9AFAAHCRBNTHRATHRB
SCHEMBL14767149 0.90 SCN9A (0.37) SCN9AFAAHCRBNTHRATHRB
SCHEMBL14767264 0.90 HPGD (0.39) SCN9AHCRTR2HPGDFFAR1PPARD
SCHEMBL14766418 0.90 SCN9A (0.37) SCN9AFAAHTHRATHRBRAB9A
SCHEMBL14766744 0.90 CRBN (0.38) SCN9AFAAHCRBNRAB9ANPC1
SCHEMBL14767288 0.90 FAAH (0.40) SCN9AFAAHCRBNRAB9ANPC1
SCHEMBL12742121 0.89 SCN9A (0.41) SCN9AFAAHCRBNTHRATHRB

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