SCHEMBL25875213

SCHEMBL25875213

C=CC(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C=C)ccc43)c2C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
PPARA Q07869 1/20 0.33
CYP2C9 P11712 1/20 0.32
AGER Q15109 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CNR2 P34972 1/20 0.30
FFAR4 Q5NUL3 2/20 0.30
ALDH2 P05091 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL25874993 0.88 THRB (0.39) THRBMEN1NPC1ALDH1A1LMNA
SCHEMBL25875217 0.88 THRB (0.36) THRBPPARAMEN1NPC1ALDH1A1
SCHEMBL25875096 0.87 THRB (0.42) THRBMEN1NPC1ALDH1A1LMNA
SCHEMBL25875111 0.87 CYP2C9 (0.36) THRBCYP2C9AGERMEN1NPC1
SCHEMBL25876564 0.86 THRB (0.35) THRBPPARAALDH1A1TSHR
SCHEMBL25873795 0.86 CYP2C9 (0.35) THRBPPARACYP2C9AGERMEN1
SCHEMBL25875107 0.85 THRB (0.40) THRBMEN1NPC1ALDH1A1LMNA
SCHEMBL25876380 0.85 THRB (0.34) THRB
SCHEMBL25875214 0.84 PPARA (0.33) PPARACYP2C9MEN1NPC1ALDH1A1
SCHEMBL25875448 0.84 THRB (0.33) THRB

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-2023134595-A1 POLYMERIZABLE 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-2023134594-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