SCHEMBL14766273

SCHEMBL14766273

C=CCCOc1ccc(-c2ccc(CCc3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL14765943 0.94 S1PR1 (0.37) NAAAGABRA1GABRB2S1PR1HRH3
SCHEMBL14766103 0.92 NAAA (0.36) NAAAGABRA1GABRB2S1PR1NR1H4
SCHEMBL14766107 0.92 S1PR1 (0.37) NAAAGABRA1GABRB2S1PR1HRH3
SCHEMBL12735416 0.91 KDM4E (0.33) GABRA1GABRB2S1PR1HRH3NR1H4
SCHEMBL14765737 0.90 NAAA (0.43) NAAAS1PR1HRH3NR1H4
SCHEMBL14765942 0.89 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL14766821 0.89 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL12735422 0.89 KDM4E (0.35) NAAAGABRA1GABRB2S1PR1HRH3
SCHEMBL14766033 0.88 NAAA (0.41) NAAAGABRA1GABRB2HRH3NR1H4
SCHEMBL14766282 0.88 NAAA (0.37) NAAAGABRA1GABRB2HRH3NR1H4

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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