SCHEMBL25855614

SCHEMBL25855614

C=CC(=O)OCCCc1ccc(-c2ccc3c(sc4c(OC)c(OC(=O)C=C)ccc43)c2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
MET P08581 5/20 0.35
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
ALOX5 P09917 1/20 0.33
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
THRA P10827 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL25855747 0.94 THRB (0.38) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855306 0.93 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855186 0.93 THRB (0.39) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855603 0.91 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25856227 0.90 THRB (0.34) THRB
SCHEMBL25854857 0.89 THRB (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855858 0.88 MET (0.35) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855753 0.88 THRB (0.34) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25854861 0.86 MET (0.36) THRBMETAKR1B10AKR1B1ALOX5
SCHEMBL25855182 0.86 THRB (0.37) THRBMETAKR1B10AKR1B1HPGD

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