SCHEMBL14766716

SCHEMBL14766716

C=CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MCL1 Q07820 1/20 0.42
PTPN11 Q06124 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRBN Q96SW2 1/20 0.40
LSS P48449 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR1 P21453 2/20 0.37

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
SCHEMBL14767281 0.96 RARA (0.46) RARARARBFFAR1FFAR4MCL1
SCHEMBL14766404 0.94 FFAR1 (0.42) RARARARBFFAR1FFAR4MCL1
SCHEMBL12742006 0.92 MAPT (0.40) RARARARBFFAR1FFAR4MCL1
SCHEMBL14767306 0.92 FFAR4 (0.46) RARARARBFFAR1FFAR4MCL1
SCHEMBL14766965 0.92 RARA (0.53) RARARARBFFAR1FFAR4MCL1
SCHEMBL14767280 0.91 FFAR4 (0.53) RARARARBFFAR1FFAR4MCL1
SCHEMBL14766917 0.90 RARA (0.42) RARARARBFFAR1FFAR4MCL1
SCHEMBL14766749 0.90 RARA (0.51) RARARARBFFAR1FFAR4MCL1
SCHEMBL12719819 0.89 RARA (0.37) RARARARBFFAR1FFAR4MCL1
SCHEMBL14767251 0.88 ALDH1A1 (0.41) RARARARBFFAR1FFAR4MCL1

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