SCHEMBL25855184

SCHEMBL25855184

C=CC(=O)Oc1ccc(-c2ccc3c(sc4c(C)c(OC(=O)C=C)ccc43)c2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
TYMS P04818 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE6D O43924 1/20 0.33
THRA P10827 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
BACE1 P56817 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
SCHEMBL25855044 0.92 THRB (0.36) THRBTYMSGAAHTTKMT2A
SCHEMBL25854854 0.91 THRB (0.35) THRBTYMSPDE6D
SCHEMBL25855189 0.90 KMT2A (0.35) THRBTYMSGAAHTTKMT2A
SCHEMBL25855609 0.90 THRB (0.34) THRBTYMSGAAHTTKMT2A
SCHEMBL25856001 0.88 THRB (0.33) THRBTYMS
SCHEMBL25855311 0.88 THRB (0.33) THRBTYMSGAAHTTKMT2A
SCHEMBL25853593 0.87 TYMS (0.39) THRBTYMSGAAKMT2ATHRA
SCHEMBL25856225 0.86 THRB (0.32) THRBADORA3
SCHEMBL25855320 0.86 THRB (0.32) THRB
SCHEMBL25854447 0.84 THRB (0.37) THRBHTTKMT2APDE6D

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