SCHEMBL14766404

SCHEMBL14766404

C=CCCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
MCL1 Q07820 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
PTPN11 Q06124 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CRBN Q96SW2 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL14766917 0.96 RARA (0.42) FFAR1FFAR4RARARARBMCL1
SCHEMBL14766716 0.94 RARA (0.46) FFAR1FFAR4RARARARBMCL1
SCHEMBL14766525 0.92 FFAR4 (0.44) FFAR1FFAR4RARARARBMCL1
SCHEMBL12738291 0.92 FFAR1 (0.38) FFAR1FFAR4MCL1S1PR1S1PR3
SCHEMBL14766424 0.92 RARA (0.48) FFAR1FFAR4RARARARBMCL1
SCHEMBL14766401 0.91 FFAR4 (0.51) FFAR1FFAR4RARARARBMCL1
SCHEMBL14767281 0.90 RARA (0.46) FFAR1FFAR4RARARARBMCL1
SCHEMBL14766245 0.90 ALDH1A1 (0.41) FFAR1FFAR4RARARARBMCL1
SCHEMBL14767251 0.90 ALDH1A1 (0.41) FFAR1FFAR4RARARARBMCL1
SCHEMBL14766797 0.90 RARA (0.47) FFAR1FFAR4RARARARBMCL1

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