SCHEMBL28297899

SCHEMBL28297899

C=CC(=O)OCCCCCCOc1ccc(CCCCCCc2ccc(OCCCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.60
TSHR P16473 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 2/20 0.58
FFAR1 O14842 2/20 0.52
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
PLA2G4B P0C869 1/20 0.47
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL14012566 0.96 THRB (0.56) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL12173353 0.96 THRB (0.56) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL17791310 0.95 THRB (0.62) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL8031169 0.92 THRB (0.62) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL26124058 0.92 THRB (0.62) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14329709 0.91 THRB (0.57) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL3440797 0.91 THRB (0.69) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL22451265 0.91 THRB (0.64) THRBTSHRALDH1A1CYP3A4FFAR1
SCHEMBL68699 0.90 THRB (0.68) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14117091 0.90 THRB (0.64) THRBTSHRALDH1A1CYP3A4HTT

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
CN-110072854-A Polymerizable compound, mixture, macromolecule, optical film, optically anisotropic body, polarizing film, display device and antireflection film 日本瑞翁株式会社 2019-07-30 CN disclosed
CN-109952323-A Polymerizable compound, mixture, polymerizable liquid crystal composition, polymer, optical film, optically anisotropic body, polarizing plate, display device, and antireflection film 日本瑞翁株式会社 2019-06-28 CN disclosed