SCHEMBL5067019

SCHEMBL5067019

Brc1ccc(OC(OC(Oc2ccc(Br)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.49
LDHA P00338 1/20 0.46
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
S1PR3 Q99500 1/20 0.36
FNTA P49354 1/20 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
SCHEMBL16348652 0.92 SLC6A4 (0.51) SLC6A4LDHAHTR2AALDH1A1TDP1
SCHEMBL2031146 0.85 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3ADRA2ACHRM1
SCHEMBL1582082 0.80 NPSR1 (0.42) ALDH1A1HTR1AKMT2AMEN1LMNA
SCHEMBL10689396 0.80 SLC6A4 (0.49) SLC6A4ALDH1A1SLC6A2SLC6A3HTR1A
SCHEMBL16386036 0.78 SLC6A4 (0.41) SLC6A4LDHAHTR2AALDH1A1TDP1
SCHEMBL18346462 0.77 CA1 (0.42) SLC6A4LDHAHTR2AKMT2AMEN1
SCHEMBL28869187 0.76 SLC6A4 (0.49) SLC6A4LDHAHTR2AALDH1A1TDP1
SCHEMBL7564026 0.75 SLC6A4 (0.44) SLC6A4ADRA2ACHRM1SRD5A2
SCHEMBL3299568 0.73 SLC6A4 (0.46) SLC6A4LDHAHTR2AALDH1A1TDP1
SCHEMBL16382842 0.72 SLC6A4 (0.40) SLC6A4LDHAHTR2AALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043299-B1 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORP (JP) 2008-10-15 EP disclosed
EP-0916639-B1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORP (JP) 2002-06-12 EP disclosed
US-6319570-B1 LIQUID CRYSTALS AND VISUAL AIDS FILM TRANSISTOR (TFT) DISPLAY MODE DEVELOP PREFERABLE PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 2001-11-20 US disclosed
US-6190576-B1 MIXTURES CHISSO CORPORATION (JP) 2001-02-20 US disclosed
EP-1043299-A2 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORPORATION (JP) 2000-10-11 EP disclosed
EP-0916639-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORPORATION (JP) 1999-05-19 EP disclosed