SCHEMBL25876146

SCHEMBL25876146

C=CC(=O)OCCCc1ccc(-c2ccc3c(oc4c(OC)c(OC(=O)C=C)ccc43)c2OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
MET P08581 5/20 0.36
AKR1B10 O60218 3/20 0.36
AKR1B1 P15121 3/20 0.36
ALOX5 P09917 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TYMS P04818 1/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
THRA P10827 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TERT O14746 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL25875674 0.94 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25875991 0.94 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25875984 0.93 THRB (0.35) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25875378 0.93 THRB (0.35) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25876289 0.92 AKR1B10 (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25876791 0.92 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25876152 0.90 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25876484 0.90 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25875844 0.87 MET (0.37) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855747 0.86 THRB (0.38) THRBMETAKR1B10AKR1B1ALOX5

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
WO-2023134595-A1 POLYMERIZABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed
WO-2023134594-A1 NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed