SCHEMBL16692008

SCHEMBL16692008

CCOc1ccc(C#Cc2ccc(COc3ccc(OCC)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.37
AOC3 Q16853 1/20 0.36
GAA P10253 2/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ACACB O00763 9/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
NTSR1 P30989 1/20 0.34

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
SCHEMBL16692006 0.91 HTR1A (0.37) AOC3HTR1AADRA1DADRA1AADRA1B
SCHEMBL16692015 0.90 MAPT (0.36) AOC3GAAHTR1AADRA1DADRA1A
SCHEMBL9508737 0.90 CYP2A6 (0.37) ACACB
SCHEMBL7910413 0.87 ACACB (0.40) ACACB
SCHEMBL9509292 0.87 RXRA (0.35) ACACB
SCHEMBL9509326 0.85 AR (0.37) GAAATMMAPTPOLBKDM4E
SCHEMBL9508771 0.85 ACACB (0.39) ACACB
SCHEMBL9511465 0.85 ACACB (0.39) ACACBMAPT
SCHEMBL7908263 0.83 HSD17B10 (0.43) TACR2GAAACACBMEN1KMT2A
SCHEMBL21165796 0.83 L3MBTL1 (0.41) MEN1KMT2AMAPTPOLBKDM4E

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