SCHEMBL14766326

SCHEMBL14766326

C=CCCCOc1ccc(-c2ccc(COc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.39
▸ S1PR1 P21453 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ FFAR1 O14842 3/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ PSEN1 P49768 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ PRMT5 O14744 1/20 0.31

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
SCHEMBL14766066 0.97 NAAA (0.38) NAAAS1PR1GABRA1GABRB2CNR2
SCHEMBL14766077 0.94 NAAA (0.43) NAAAS1PR1FFAR1PPARDRARA
SCHEMBL14766033 0.91 NAAA (0.41) NAAAGABRA1GABRB2FFAR1PPARD
SCHEMBL14765912 0.91 NAAA (0.42) NAAAS1PR1FFAR1PPARDRARA
SCHEMBL14765957 0.91 NAAA (0.42) NAAAS1PR1FFAR1PPARDRARA
SCHEMBL14767059 0.90 GABRA1 (0.36) NAAAGABRA1GABRB2CNR2CNR1
SCHEMBL14766036 0.90 GABRA1 (0.36) NAAAGABRA1GABRB2CNR2CNR1
SCHEMBL14766107 0.89 S1PR1 (0.37) NAAAS1PR1GABRA1GABRB2CNR2
SCHEMBL14766799 0.88 FFAR1 (0.34) NAAAS1PR1GABRA1GABRB2CNR2
SCHEMBL14766960 0.88 GABRA1 (0.35) NAAAGABRA1GABRB2CNR2FFAR1

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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