SCHEMBL25855451

SCHEMBL25855451

C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)sc2c(OC)c(OC(=O)C=C)ccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.37
AKR1B10 O60218 3/20 0.37
AKR1B1 P15121 3/20 0.37
THRB P10828 3/20 0.37
ALOX5 P09917 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MCL1 Q07820 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
LIMK1 P53667 1/20 0.31
THRA P10827 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
SCHEMBL25853716 0.92 MET (0.39) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25855041 0.90 THRB (0.38) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25856163 0.88 THRB (0.33) METAKR1B10AKR1B1THRBMCL1
SCHEMBL25869383 0.88 THRB (0.35) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25855747 0.87 THRB (0.38) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25855863 0.85 THRB (0.34) METAKR1B10AKR1B1THRBMCL1
SCHEMBL25855448 0.85 TUBB4A (0.39) THRBESR1TSHRLIMK1
SCHEMBL25855614 0.84 THRB (0.36) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25854571 0.84 THRB (0.41) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25855453 0.84 PDE4A (0.34) METAKR1B10AKR1B1PDE4APDE4B

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