SCHEMBL14766950

SCHEMBL14766950

C=CCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ MAOB P27338 2/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL14766740 0.96 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL14766862 0.96 S1PR1 (0.38) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL12740603 0.92 FFAR1 (0.40) FFAR1FFAR4MAOBALDH2MAOA
SCHEMBL14765917 0.91 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL14767167 0.91 FFAR1 (0.42) FFAR1FFAR4MAOBALDH2MAOA
SCHEMBL14766745 0.91 FFAR1 (0.43) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL14766938 0.90 FFAR1 (0.49) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL14766811 0.89 S1PR1 (0.43) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL12719296 0.88 FFAR1 (0.36) FFAR1FFAR4S1PR1S1PR3MAOB
SCHEMBL14766810 0.88 FFAR1 (0.42) FFAR1FFAR4S1PR1S1PR3MAOB

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
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