SCHEMBL14766161

SCHEMBL14766161

C=CCCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.39
FFAR1 O14842 2/20 0.39
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCL1 Q07820 1/20 0.34
PPARD Q03181 3/20 0.34
SCN9A Q15858 1/20 0.33
HPGD P15428 1/20 0.33
PTPN11 Q06124 1/20 0.33
FAAH O00519 1/20 0.33
SLC10A2 Q12908 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL14765973 0.98 FFAR4 (0.38) FFAR4FFAR1RARARARBCRBN
SCHEMBL14767136 0.94 FFAR4 (0.36) FFAR4FFAR1RARARARBCRBN
SCHEMBL14766109 0.94 FFAR4 (0.43) FFAR4FFAR1RARARARBCRBN
SCHEMBL12737371 0.93 FFAR4 (0.35) FFAR4FFAR1ALDH1A1L3MBTL1PPARD
SCHEMBL14766502 0.93 FFAR1 (0.41) FFAR4FFAR1PPARDHPGD
SCHEMBL14766206 0.92 FFAR4 (0.42) FFAR4FFAR1RARARARBCRBN
SCHEMBL14765978 0.92 FFAR4 (0.46) FFAR4FFAR1RARARARBCRBN
SCHEMBL14766178 0.92 ALDH1A1 (0.35) FFAR4FFAR1RARARARBALDH1A1
SCHEMBL14767253 0.92 ALDH1A1 (0.35) FFAR4FFAR1RARARARBALDH1A1
SCHEMBL14767220 0.91 FAAH (0.36) FFAR4FFAR1RARARARBCRBN

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