SCHEMBL25875215

SCHEMBL25875215

C=CC(=O)Oc1ccc(-c2ccc3c(oc4cc(OC(=O)C=C)ccc43)c2OC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CA9 Q16790 1/20 0.34
ESR1 P03372 6/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
AGER Q15109 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAPDH P04406 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
TEAD3 Q99594 1/20 0.32

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
SCHEMBL25875217 0.87 THRB (0.36) KMT2AALDH1A1MAPTESR1PTPN22
SCHEMBL25876847 0.86 ADORA3 (0.36) ADORA3TEAD1TEAD4TEAD2TEAD3
SCHEMBL25873855 0.86 ALDH1A1 (0.34) KMT2AALDH1A1MAPTPPARGNCOA2
SCHEMBL25875101 0.86 HPGD (0.40) KMT2AALDH1A1MAPTPPARGNCOA2
SCHEMBL25875216 0.85 GAPDH (0.35) KMT2AALDH1A1MAPTPPARGNCOA2
SCHEMBL25875111 0.85 CYP2C9 (0.36) KMT2AALDH1A1MAPTPPARGNCOA2
SCHEMBL25876636 0.84 ADORA3 (0.33) ESR1PTPN22ADORA3THRB
SCHEMBL25875451 0.83 ABL1 (0.33) ADORA3THRB
SCHEMBL25876567 0.82 ABL1 (0.33) ADORA3THRB
SCHEMBL25874998 0.82 ALDH1A1 (0.40) KMT2AALDH1A1MAPTPPARGNCOA2

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