SCHEMBL14765802

SCHEMBL14765802

C=CCOc1ccc(-c2ccc(COc3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.35
F10 P00742 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
BCHE P06276 2/20 0.33
HTR6 P50406 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CCR5 P51681 1/20 0.33
HTR1A P08908 1/20 0.33
NAAA Q02083 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
MGAM O43451 3/20 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
SCHEMBL14766767 0.94 NAAA (0.35) GYS1F10GABRA1GABRB2BCHE
SCHEMBL14765789 0.91 GABRA1 (0.35) F10GABRA1GABRB2NR1H4HTR6
SCHEMBL12736459 0.91 GYS1 (0.36) GYS1F10NR1H4BCHEHTR6
SCHEMBL14766218 0.91 FFAR1 (0.38) F10NR1H4HTR6SLC6A2SLC6A4
SCHEMBL14766956 0.90 GYS1 (0.38) GYS1F10GABRA1GABRB2NAAA
SCHEMBL14766075 0.89 GABRA1 (0.35) GYS1GABRA1GABRB2HTR6SLC6A2
SCHEMBL14767171 0.89 GABRA1 (0.35) GYS1GABRA1GABRB2HTR6SLC6A2
SCHEMBL12716864 0.88 FFAR1 (0.37) GYS1F10NR1H4BCHEHTR6
SCHEMBL14765739 0.87 FFAR4 (0.36) GYS1GABRA1GABRB2NR1H4MEN1
SCHEMBL14766028 0.87 FFAR4 (0.37) GYS1NR1H4HTR6MEN1LMNA

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