SCHEMBL25855747

SCHEMBL25855747

C=CC(=O)OCCCc1ccc(-c2ccc3c(sc4c(OC)c(OC(=O)C=C)ccc43)c2OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
MET P08581 5/20 0.36
AKR1B10 O60218 3/20 0.36
AKR1B1 P15121 3/20 0.36
ALOX5 P09917 2/20 0.34
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
THRA P10827 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TYMS P04818 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30
LPAR1 Q92633 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
SCHEMBL25855614 0.94 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855306 0.94 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855603 0.94 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25854861 0.93 MET (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855858 0.92 MET (0.35) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25856319 0.92 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25856097 0.90 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855753 0.90 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855451 0.87 MET (0.37) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855186 0.85 THRB (0.39) 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-2023134598-A1 POLYMERISABLE 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-2023134596-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