SCHEMBL25875217

SCHEMBL25875217

C=CC(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C=C)ccc43)c2OC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
ESR1 P03372 5/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN9 P43378 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
AR P10275 1/20 0.31
STS P08842 1/20 0.31
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 2/20 0.30
PPARA Q07869 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL25875107 0.89 THRB (0.40) THRBMEN1NPC1ALDH1A1LMNA
SCHEMBL25875213 0.88 THRB (0.38) THRBESR1FFAR1FFAR4PPARA
SCHEMBL25875215 0.87 KMT2A (0.34) THRBESR1PTPN22MEN1NPC1
SCHEMBL25876854 0.87 THRB (0.34) THRB
SCHEMBL25874993 0.87 THRB (0.39) THRBESR1FFAR1FFAR4MEN1
SCHEMBL25875096 0.86 THRB (0.42) THRBFFAR1FFAR4MEN1NPC1
SCHEMBL25873863 0.86 THRB (0.33) THRBESR1ARALDH1A1MAPT
SCHEMBL25876638 0.85 THRB (0.33) THRB
SCHEMBL25875219 0.85 ESR1 (0.32) ESR1PTPRCPTPN2PTPN1PTPN6
SCHEMBL25875454 0.85 THRB (0.32) 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