SCHEMBL14766525

SCHEMBL14766525

C=CCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 2/20 0.44
PTGS2 P35354 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HMOX1 P09601 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 1/20 0.34
PTPN11 Q06124 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
SCHEMBL14766917 0.94 RARA (0.42) FFAR4FFAR1RARARARBALDH1A1
SCHEMBL14767306 0.94 FFAR4 (0.46) FFAR4FFAR1RARARARBMAPT
SCHEMBL14766404 0.92 FFAR1 (0.42) FFAR4FFAR1RARARARBALDH1A1
SCHEMBL12738289 0.91 MAPT (0.38) FFAR4FFAR1MAPTMCL1S1PR1
SCHEMBL14766983 0.90 FFAR4 (0.41) FFAR4FFAR1PTGS2MAPTTHRB
SCHEMBL14766724 0.90 FFAR4 (0.47) FFAR4FFAR1PTGS2MAPTTHRB
SCHEMBL14766094 0.89 FFAR1 (0.38) FFAR4FFAR1MAPTTHRBALDH1A1
SCHEMBL14767006 0.89 FFAR1 (0.38) FFAR4FFAR1MAPTTHRBALDH1A1
SCHEMBL14766401 0.89 FFAR4 (0.51) FFAR4FFAR1PTGS2RARARARB
SCHEMBL12738291 0.89 FFAR1 (0.38) FFAR4FFAR1MAPTALDH1A1L3MBTL1

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