SCHEMBL25874993

SCHEMBL25874993

C=CC(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C=C)ccc43)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
FFAR4 Q5NUL3 5/20 0.33
FFAR1 O14842 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NOD1 Q9Y239 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MPL P40238 2/20 0.31
ALDH2 P05091 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ESR1 P03372 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
SCHEMBL25875096 0.90 THRB (0.42) THRBFFAR4FFAR1ALDH1A1LMNA
SCHEMBL25875213 0.88 THRB (0.38) THRBFFAR4FFAR1ALDH1A1LMNA
SCHEMBL25875107 0.87 THRB (0.40) THRBALDH1A1LMNATSHRMEN1
SCHEMBL25875217 0.87 THRB (0.36) THRBFFAR4FFAR1ALDH1A1LMNA
SCHEMBL25875296 0.86 THRB (0.37) THRBALDH1A1TSHRHPGDMPL
SCHEMBL25873716 0.84 THRB (0.36) THRBALDH1A1LMNATSHRNPC1
SCHEMBL25874988 0.84 THRB (0.45) THRBALDH1A1LMNATSHRMEN1
SCHEMBL25875291 0.84 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL25874996 0.84 POLB (0.34) ALDH1A1LMNATSHRMEN1NPC1
SCHEMBL17750816 0.83 THRB (0.53) THRBFFAR4FFAR1ALDH1A1LMNA

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