SCHEMBL25869383

SCHEMBL25869383

C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)sc2c(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
MET P08581 5/20 0.34
AKR1B10 O60218 4/20 0.34
AKR1B1 P15121 4/20 0.34
MCL1 Q07820 1/20 0.33
ALOX5 P09917 1/20 0.32
LIMK1 P53667 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 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
SCHEMBL25853310 0.92 MET (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25854770 0.90 THRB (0.38) THRBMCL1LIMK1
SCHEMBL25855041 0.89 THRB (0.38) THRBMETAKR1B10AKR1B1MCL1
SCHEMBL25855863 0.88 THRB (0.34) THRBMETAKR1B10AKR1B1MCL1
SCHEMBL25855451 0.88 MET (0.37) THRBMETAKR1B10AKR1B1MCL1
SCHEMBL25869450 0.87 THRB (0.37) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25856163 0.87 THRB (0.33) THRBMETAKR1B10AKR1B1MCL1
SCHEMBL25854441 0.85 THRB (0.40) THRBMETAKR1B10AKR1B1ALDH1A1
SCHEMBL25854768 0.84 THRB (0.34) THRBLIMK1ESR1
SCHEMBL25869084 0.83 THRB (0.45) THRBMETAKR1B10AKR1B1MCL1

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 1 patent. 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