SCHEMBL25880885

SCHEMBL25880885

C=C(C)C(=O)Oc1ccc2c(oc3c(OC(F)(F)F)c(OC(=O)CC)ccc32)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.49
HPGD P15428 12/20 0.49
HSD17B10 Q99714 9/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 5/20 0.49
GAA P10253 4/20 0.49
GLA P06280 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 12/20 0.38
MAPT P10636 7/20 0.38
HTT P42858 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PAX8 Q06710 1/20 0.35
TSHR P16473 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL25874329 0.92 GBA1 (0.39) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25874104 0.90 KMT2A (0.37) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25874891 0.87 ALDH1A1 (0.35) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25874546 0.82 MAOA (0.40) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25874778 0.81 KDM4E (0.33) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25880426 0.81 MAOA (0.33) KDM4EHPGDHSD17B10LMNAGAA
SCHEMBL25874705 0.80 ALDH1A1 (0.32) KDM4EHPGDHSD17B10LMNAGAA
SCHEMBL25875786 0.80 KMT2A (0.37) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25874210 0.79 GBA1 (0.49) KDM4EHPGDHSD17B10KMT2ALMNA
SCHEMBL25874215 0.78 KDM4E (0.47) KDM4EHPGDHSD17B10KMT2ALMNA

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