SCHEMBL25855186

SCHEMBL25855186

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.39
MET P08581 5/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
THRA P10827 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TYMS P04818 1/20 0.31
RARB P10826 1/20 0.31
ALOX5 P09917 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
SCHEMBL25855182 0.93 THRB (0.37) THRBMETAKR1B10AKR1B1TSHR
SCHEMBL25854857 0.93 THRB (0.36) THRBMETAKR1B10AKR1B1TSHR
SCHEMBL25855306 0.93 THRB (0.36) THRBMETAKR1B10AKR1B1TSHR
SCHEMBL25855614 0.93 THRB (0.36) THRBMETAKR1B10AKR1B1TSHR
SCHEMBL25855316 0.90 THRB (0.35) THRBMET
SCHEMBL25856005 0.90 THRB (0.35) THRBMET
SCHEMBL25855446 0.89 THRB (0.34) THRBMET
SCHEMBL25856227 0.89 THRB (0.34) THRB
SCHEMBL25855041 0.87 THRB (0.38) THRBMETAKR1B10AKR1B1TSHR
SCHEMBL25855747 0.85 THRB (0.38) THRBMETAKR1B10AKR1B1TSHR

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