SCHEMBL14766229

SCHEMBL14766229

CCCCOc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
HPGD P15428 4/20 0.36
HCRTR2 O43614 4/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PPARD Q03181 2/20 0.32
ACACB O00763 1/20 0.32
HTR2C P28335 2/20 0.32
PPARA Q07869 1/20 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
SCHEMBL14767123 1.00 SCN9A (0.38) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14766175 0.97 SCN9A (0.38) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14766271 0.97 HPGD (0.40) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14767046 0.97 HPGD (0.40) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14767164 0.97 SCN9A (0.38) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14922670 0.94 SCN9A (0.41) SCN9AHPGDRAB9ANPC1ALDH1A1
SCHEMBL14767153 0.93 HPGD (0.35) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14765999 0.93 HPGD (0.35) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14766474 0.92 SCN9A (0.36) SCN9AHPGDHCRTR2RAB9ANPC1
SCHEMBL14767053 0.92 SCN9A (0.36) SCN9AHPGDHCRTR2RAB9ANPC1

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