SCHEMBL14767229

SCHEMBL14767229

CCCCOc1ccc(OC(=O)C2CCC(c3ccc(-c4ccc(OCCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.38
PPARD Q03181 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
FAAH O00519 2/20 0.37
SCN9A Q15858 1/20 0.37
FFAR4 Q5NUL3 5/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRBN Q96SW2 1/20 0.35
MCL1 Q07820 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL14767174 0.98 RARA (0.38) FFAR1PPARDRARARARBFAAH
SCHEMBL14767291 0.95 FFAR1 (0.39) FFAR1PPARDRARARARBFAAH
SCHEMBL14767259 0.94 FAAH (0.39) FFAR1PPARDRARARARBFAAH
SCHEMBL12742366 0.93 SCN9A (0.37) FFAR1PPARDRARARARBFAAH
SCHEMBL14767267 0.92 FAAH (0.41) FFAR1PPARDRARARARBFAAH
SCHEMBL14767293 0.92 FFAR4 (0.35) FFAR1PPARDRARARARBFAAH
SCHEMBL14767130 0.92 SCN9A (0.36) FFAR1PPARDRARARARBFAAH
SCHEMBL12742371 0.91 SCN9A (0.36) FFAR1PPARDRARBSCN9AFFAR4
SCHEMBL12742379 0.91 THRA (0.36) FFAR1PPARDSCN9AFFAR4
SCHEMBL12742374 0.91 THRA (0.36) FFAR1PPARDSCN9AFFAR4

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