SCHEMBL16692015

SCHEMBL16692015

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
NTSR1 P30989 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.35

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 0.90 TACR2 (0.37) MAPTKDM4EALDH1A1PKMNTSR1
SCHEMBL16692006 0.89 HTR1A (0.37) MAPTKDM4EALDH1A1PKMNTSR1
SCHEMBL9508737 0.81 CYP2A6 (0.37) FFAR1
SCHEMBL9509326 0.79 AR (0.37) MAPTKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL7910413 0.78 ACACB (0.40) FFAR1
SCHEMBL9509292 0.78 RXRA (0.35) RXRARXRBRXRG
SCHEMBL21165796 0.78 L3MBTL1 (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9512496 0.77 AAK1 (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9511465 0.76 ACACB (0.39) MAPTL3MBTL1RAB9AFFAR1FFAR4
SCHEMBL9508771 0.76 ACACB (0.39) RXRARXRBRXRGFFAR1FFAR4

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 2 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-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