SCHEMBL14766642

SCHEMBL14766642

CCCCOc1ccc(-c2ccc(-c3ccc(COc4ccc(OCCCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.43
PPARD Q03181 6/20 0.43
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 2/20 0.43
FAAH O00519 1/20 0.43
PTPN11 Q06124 2/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MCL1 Q07820 1/20 0.40
PTGES O14684 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14767244 0.98 FFAR1 (0.46) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14766857 0.96 FFAR1 (0.47) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14766750 0.96 FFAR1 (0.45) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL12741016 0.94 FFAR1 (0.43) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14767010 0.94 FFAR1 (0.47) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14767148 0.94 FFAR1 (0.48) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14766382 0.93 S1PR1 (0.46) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL12741018 0.92 PTPN11 (0.43) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14766654 0.91 CNR2 (0.40) FFAR1PPARDS1PR1S1PR3FAAH
SCHEMBL14766860 0.91 CNR2 (0.40) FFAR1PPARDS1PR1S1PR3FAAH

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