SCHEMBL25875557

SCHEMBL25875557

C=CC(=O)OCCCc1ccc(-c2ccc3c(oc4c(C)c(OC(=O)C=C)ccc43)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
MPL P40238 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
THRA P10827 1/20 0.32
GBA1 P04062 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
TYMS P04818 1/20 0.31
MET P08581 3/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAOA P21397 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
SCHEMBL25875302 0.93 THRB (0.36) THRBMPLKDM4EHPGDHSD17B10
SCHEMBL25875296 0.93 THRB (0.37) THRBMPLHPGDTSHRALDH1A1
SCHEMBL25875668 0.93 THRB (0.39) THRBKDM4EHPGDHSD17B10TSHR
SCHEMBL25875984 0.89 THRB (0.35) THRBMPLTYMSMETAKR1B10
SCHEMBL25875783 0.89 THRB (0.35) THRBKDM4EHPGDHSD17B10TSHR
SCHEMBL25875674 0.88 THRB (0.36) THRBKDM4EHPGDHSD17B10TSHR
SCHEMBL25876385 0.88 THRB (0.33) THRBTYMS
SCHEMBL25875839 0.87 THRB (0.34) THRBKDM4EHPGDHSD17B10TSHR
SCHEMBL25875378 0.86 THRB (0.35) THRBTYMSMETAKR1B10AKR1B1
SCHEMBL25874111 0.86 THRB (0.38) THRBKDM4EHPGDHSD17B10TSHR

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