SCHEMBL14767220

SCHEMBL14767220

C=CCCOc1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.36
FFAR4 Q5NUL3 3/20 0.35
FFAR1 O14842 2/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
SCN9A Q15858 1/20 0.35
CRBN Q96SW2 1/20 0.34
MCL1 Q07820 1/20 0.34
PTPN11 Q06124 1/20 0.33
PPARD Q03181 3/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL14767136 0.97 FFAR4 (0.36) FAAHFFAR4FFAR1RARARARB
SCHEMBL14766819 0.95 FFAR1 (0.38) FFAR4FFAR1PPARD
SCHEMBL14767130 0.94 SCN9A (0.36) FAAHFFAR4FFAR1RARARARB
SCHEMBL14765973 0.94 FFAR4 (0.38) FAAHFFAR4FFAR1RARARARB
SCHEMBL14767267 0.93 FAAH (0.41) FAAHFFAR4FFAR1RARARARB
SCHEMBL12742451 0.93 CYP2C9 (0.35) FFAR4FFAR1PPARD
SCHEMBL14766294 0.92 SCN9A (0.34) FFAR4FFAR1RARARARBSCN9A
SCHEMBL14767075 0.92 SCN9A (0.34) FFAR4FFAR1RARARARBSCN9A
SCHEMBL14767259 0.92 FAAH (0.39) FAAHFFAR4FFAR1RARARARB
SCHEMBL14767293 0.91 FFAR4 (0.35) FAAHFFAR4FFAR1RARARARB

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