SCHEMBL25874544

SCHEMBL25874544

C=CC(=O)Oc1ccc2c(oc3c(OC(F)(F)F)c(OC(=O)C=C)ccc32)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
TYMS P04818 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
FHIT P49789 1/20 0.32
CYP1A2 P05177 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
SCHEMBL25874884 0.94 TYMS (0.38) ALDH1A1KDM4ETYMSHPGDTHRA
SCHEMBL25874471 0.90 KDM4E (0.44) ALDH1A1MAOAMAOBKDM4ECA12
SCHEMBL25874327 0.89 KDM4E (0.36) ALDH1A1MAOAMAOBKDM4ETYMS
SCHEMBL25876711 0.88 ABL1 (0.38) ALDH1A1TYMSTHRBMEN1KMT2A
SCHEMBL25870131 0.88 ABL1 (0.38) ALDH1A1MAOAMAOBKDM4ETYMS
SCHEMBL25874031 0.88 TYMS (0.34) TYMSTHRATHRB
SCHEMBL25874476 0.87 MAOA (0.37) ALDH1A1MAOAMAOBKDM4ECA12
SCHEMBL25874702 0.87 TYMS (0.34) TYMSTHRATHRB
SCHEMBL25873939 0.85 MAOA (0.41) ALDH1A1MAOAMAOBKDM4ECA12
SCHEMBL25874214 0.84 KDM4E (0.46) ALDH1A1MAOAMAOBKDM4ECA12

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