SCHEMBL10303036

SCHEMBL10303036

CCCC(O)c1ccc(CCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ GABRA1 P14867 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32

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
SCHEMBL12717002 0.91 FFAR4 (0.35) FFAR4MEN1KMT2AFAAHNPSR1
SCHEMBL13586170 0.91 FFAR4 (0.35) FFAR4MEN1KMT2AFAAHNPSR1
SCHEMBL10303076 0.89 CNR2 (0.35) ADRB1GABRA1GABRB2S1PR1
SCHEMBL10303039 0.89 CNR2 (0.37) ADRB1GABRA1GABRB2S1PR1S1PR3
SCHEMBL12718554 0.89 MEN1 (0.40) FFAR4PTGS2MEN1KMT2AFAAH
SCHEMBL10303067 0.89 PTGS2 (0.39) FFAR4PTGS2PTGS1MEN1KMT2A
SCHEMBL10303207 0.88 FFAR1 (0.39) PTGS2PTGS1MEN1KMT2AFAAH
SCHEMBL10303034 0.86 ADRB2 (0.35) ADRB2ADRB1
SCHEMBL12718504 0.86 FAAH (0.42) FFAR4PTGS2PTGS1MEN1KMT2A
SCHEMBL10303179 0.85 FFAR1 (0.40) FFAR4PTGS2PTGS1FAAHPDE4A

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
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