SCHEMBL16692006

SCHEMBL16692006

CCOc1ccc(C#Cc2ccc(COc3cccc(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
KDM1A O60341 4/20 0.36
MRGPRX4 Q96LA9 2/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
NTSR1 P30989 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AOC3 Q16853 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL16692008 0.91 TACR2 (0.37) HTR1AADRA1DADRA1AADRA1BMRGPRX4
SCHEMBL16692015 0.89 MAPT (0.36) HTR1AL3MBTL1ADRA1DADRA1AADRA1B
SCHEMBL9508737 0.82 CYP2A6 (0.37) FFAR1
SCHEMBL7910413 0.79 ACACB (0.40) FFAR1
SCHEMBL9509292 0.79 RXRA (0.35)
SCHEMBL21165796 0.79 L3MBTL1 (0.41) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL9509326 0.77 AR (0.37) L3MBTL1MAPTKDM4EALDH1A1RAB9A
SCHEMBL9508771 0.77 ACACB (0.39) FFAR1
SCHEMBL9511465 0.77 ACACB (0.39) L3MBTL1MAPTRAB9AFFAR1
SCHEMBL7908263 0.76 HSD17B10 (0.43) SLC6A2SLC6A4SLC6A3L3MBTL1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163178-B2 Liquid crystal compound with negative dielectric anisotropy, liquid crystal display, and optoelectronic device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-10-20 US disclosed
US-9163178-B2 Liquid crystal compound with negative dielectric anisotropy, liquid crystal display, and optoelectronic device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-10-20 US disclosed
US-20150124210-A1 LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL DISPLAY, AND OPTOELECTRONIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-05-07 US disclosed
US-20150124210-A1 LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL DISPLAY, AND OPTOELECTRONIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-05-07 US disclosed