SCHEMBL25875674

SCHEMBL25875674

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.36
KMT2A Q03164 5/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MET P08581 5/20 0.34
AKR1B10 O60218 2/20 0.34
AKR1B1 P15121 2/20 0.34
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRA P10827 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL25876146 0.94 THRB (0.38) THRBMETAKR1B10AKR1B1HPGD
SCHEMBL25875991 0.93 THRB (0.36) THRBKMT2AGAAHTTMET
SCHEMBL25875668 0.92 THRB (0.39) THRBKMT2AGAAHTTMET
SCHEMBL25875378 0.90 THRB (0.35) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25875839 0.90 THRB (0.34) THRBKMT2AGAAHTTAKR1B10
SCHEMBL25875557 0.88 THRB (0.36) THRBKMT2AGAAHTTMET
SCHEMBL25876484 0.88 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25876791 0.88 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25875984 0.87 THRB (0.35) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25874216 0.86 THRB (0.38) THRBKMT2AGAAAKR1B10AKR1B1

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