SCHEMBL25880220

SCHEMBL25880220

C=C(C)C(=O)Oc1ccc2c(oc3c(OC)c(OC(=O)CC)ccc32)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.42
MAOB P27338 3/20 0.42
KDM4E B2RXH2 7/20 0.39
KMT2A Q03164 5/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 4/20 0.39
GLA P06280 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL25873940 0.92 MAOA (0.44) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25874104 0.88 KMT2A (0.37) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25881172 0.86 MAOA (0.38) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25874472 0.84 MAOA (0.47) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25906240 0.82 ALDH1A1 (0.50) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25907162 0.82 KDM4E (0.43) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25880426 0.79 MAOA (0.33) MAOAMAOBKDM4EHSD17B10HPGD
SCHEMBL25874215 0.78 KDM4E (0.47) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25874546 0.78 MAOA (0.40) MAOAMAOBKDM4EKMT2AHSD17B10
SCHEMBL25873934 0.77 GBA1 (0.43) MAOAMAOBKDM4EKMT2AHSD17B10

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 1 patent. 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