SCHEMBL14766938

SCHEMBL14766938

CCCCOc1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.49
▸ FFAR4 Q5NUL3 4/20 0.49
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 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
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL14766745 0.96 FFAR1 (0.43) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL14765915 0.95 FFAR1 (0.47) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL14766810 0.94 FFAR1 (0.42) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL14767038 0.94 FFAR1 (0.45) FFAR1FFAR4CACNA1CMAOBMEN1
SCHEMBL12740589 0.91 FFAR1 (0.43) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL14766731 0.91 S1PR1 (0.44) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL12740577 0.90 MAPT (0.46) FFAR1FFAR4S1PR1S1PR3RARB
SCHEMBL14766950 0.90 FFAR1 (0.40) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL12740591 0.89 FFAR1 (0.42) FFAR1FFAR4S1PR1S1PR3MCL1
SCHEMBL14766057 0.89 S1PR1 (0.42) FFAR1FFAR4S1PR1S1PR3MCL1

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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