SCHEMBL8961853

SCHEMBL8961853

C=CC(=O)OCCCCOC(=O)Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.62
TSHR P16473 5/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE6D O43924 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HTT P42858 1/20 0.38
KCNA3 P22001 1/20 0.37
THRA P10827 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8961894 0.97 THRB (0.62) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL8961917 0.94 THRB (0.71) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL13899190 0.92 THRB (0.69) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29315969 0.90 TSHR (0.51) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL991327 0.89 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14408201 0.89 THRB (0.54) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL29315964 0.88 THRB (0.52) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL1533190 0.87 HTT (0.53) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14280596 0.87 THRB (0.48) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL13343665 0.86 TSHR (0.53) THRBTSHRALDH1A1CYP3A4HPGD

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
EP-3019576-A1 MARKING COMPRISING A PRINTABLE CODE AND A CHIRAL LIQUID CRYSTAL POLYMER LAYER Sicpa Holding SA (CH) 2016-05-18 EP disclosed
WO-2015004129-A1 MARKING COMPRISING A PRINTABLE CODE AND A CHIRAL LIQUID CRYSTAL POLYMER LAYER SICPA HOLDING SA (CH) 2015-01-15 WO disclosed
WO-2012163778-A1 SUBSTRATE WITH A MODIFIED LIQUID CRYSTAL POLYMER MARKING SICPA HOLDING SA (CH) 2012-12-06 WO disclosed
US-5488089-A Curable resin composition KANSAI PAINT CO., LTD. (JP) 1996-01-30 US disclosed