SCHEMBL14766282

SCHEMBL14766282

C=CCCOc1ccc(-c2ccc(OCc3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.37
▸ FFAR1 O14842 6/20 0.35
▸ PPARD Q03181 5/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ NMT1 P30419 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
SCHEMBL14766237 0.95 NAAA (0.35) NAAAFFAR1PPARDFFAR4HRH3
SCHEMBL14766138 0.92 NAAA (0.35) NAAAFFAR1PPARDFFAR4HRH3
SCHEMBL14766583 0.92 NAAA (0.37) NAAAFFAR1PPARDFFAR4HRH3
SCHEMBL12736949 0.91 FFAR1 (0.34) NAAAFFAR1PPARDFFAR4HRH3
SCHEMBL14766283 0.90 NAAA (0.45) NAAAFFAR1PPARDFFAR4HRH3
SCHEMBL14765988 0.89 FFAR4 (0.35) FFAR4GABRA1GABRB2
SCHEMBL14766988 0.89 FFAR4 (0.35) FFAR4GABRA1GABRB2
SCHEMBL12736950 0.89 FFAR4 (0.35) NAAAFFAR1PPARDFFAR4HRH3
SCHEMBL14766273 0.88 NAAA (0.35) NAAAHRH3GABRA1GABRB2NR1H4
SCHEMBL14766399 0.87 NAAA (0.39) NAAAFFAR1PPARDFFAR4HRH3

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
Send feedback