SCHEMBL14767130

SCHEMBL14767130

C=CCCOc1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
FAAH O00519 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
FFAR4 Q5NUL3 6/20 0.33
FFAR1 O14842 3/20 0.33
RAB9A P51151 2/20 0.32
CRBN Q96SW2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARD Q03181 2/20 0.32
MCL1 Q07820 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
SCHEMBL14767293 0.97 FFAR4 (0.35) SCN9AFAAHRARARARBFFAR4
SCHEMBL14767183 0.94 FFAR1 (0.36) SCN9AFFAR4FFAR1PPARD
SCHEMBL14767220 0.94 FAAH (0.36) SCN9AFAAHRARARARBFFAR4
SCHEMBL14767174 0.93 RARA (0.38) SCN9AFAAHRARARARBFFAR4
SCHEMBL12742383 0.92 FFAR1 (0.33) FFAR4FFAR1PPARD
SCHEMBL14767229 0.92 FFAR1 (0.38) SCN9AFAAHRARARARBFFAR4
SCHEMBL14767136 0.91 FFAR4 (0.36) SCN9AFAAHRARARARBFFAR4
SCHEMBL14767075 0.91 SCN9A (0.34) SCN9ARARARARBFFAR4FFAR1
SCHEMBL14766294 0.91 SCN9A (0.34) SCN9ARARARARBFFAR4FFAR1
SCHEMBL14767291 0.90 FFAR1 (0.39) SCN9AFAAHRARARARBFFAR4

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