SCHEMBL25875107

SCHEMBL25875107

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
NOD1 Q9Y239 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 4/20 0.34
MET P08581 4/20 0.34
KDM4E B2RXH2 3/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34

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) THRBALDH1A1LMNAKMT2AMEN1
SCHEMBL25875217 0.89 THRB (0.36) THRBALDH1A1LMNAKMT2AMEN1
SCHEMBL25874993 0.87 THRB (0.39) THRBALDH1A1LMNAKMT2AMEN1
SCHEMBL25875101 0.87 HPGD (0.40) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL25876146 0.86 THRB (0.38) THRBALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL25873788 0.85 HPGD (0.36) THRBALDH1A1LMNAKMT2AMEN1
SCHEMBL25875109 0.85 ALDH1A1 (0.36) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL25875213 0.85 THRB (0.38) THRBALDH1A1LMNAKMT2AMEN1
SCHEMBL25875844 0.85 MET (0.37) THRBALDH1A1KMT2AMEN1HPGD
SCHEMBL25874988 0.83 THRB (0.45) THRBALDH1A1LMNAKMT2AMEN1

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-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
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