SCHEMBL25875291

SCHEMBL25875291

C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)oc2c(F)c(OC(=O)C=C)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MET P08581 4/20 0.32
AKR1B10 O60218 2/20 0.32
AKR1B1 P15121 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TYMS P04818 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL25873866 0.92 THRB (0.36) THRBMETAKR1B10AKR1B1ALDH1A1
SCHEMBL25875551 0.89 THRB (0.38) THRBMMP12MMP13METAKR1B10
SCHEMBL25876380 0.88 THRB (0.34) THRBMMP12MMP13METAKR1B10
SCHEMBL25875844 0.87 MET (0.37) THRBMMP12MMP13METAKR1B10
SCHEMBL25876638 0.87 THRB (0.33) THRBMMP12MMP13MET
SCHEMBL25875296 0.87 THRB (0.37) THRBMETAKR1B10AKR1B1ALDH1A1
SCHEMBL25874993 0.84 THRB (0.39) THRBALDH1A1TSHR
SCHEMBL25875302 0.83 THRB (0.36) THRBMETAKR1B10AKR1B1ALDH1A1
SCHEMBL25874988 0.83 THRB (0.45) THRBMMP12MMP13METAKR1B10
SCHEMBL25875294 0.83 MMP12 (0.34) MMP12MMP13TSHR

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-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
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