SCHEMBL25874104

SCHEMBL25874104

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 4/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
PAX8 Q06710 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL25880426 0.92 MAOA (0.33) KDM4EHSD17B10GAAHPGDLMNA
SCHEMBL25880885 0.90 KDM4E (0.49) KMT2AKDM4EHSD17B10GAAHPGD
SCHEMBL25880220 0.88 MAOA (0.42) KMT2AKDM4EHSD17B10GAAHPGD
SCHEMBL25874891 0.87 ALDH1A1 (0.35) KMT2AKDM4EHSD17B10GAAHPGD
SCHEMBL25874546 0.82 MAOA (0.40) KMT2AKDM4EHSD17B10GAAHPGD
SCHEMBL25874329 0.81 GBA1 (0.39) KMT2AKDM4EHSD17B10GAAHPGD
SCHEMBL25874705 0.80 ALDH1A1 (0.32) KDM4EHSD17B10GAAHPGDLMNA
SCHEMBL25873940 0.80 MAOA (0.44) KMT2AKDM4EHSD17B10GAAHPGD
SCHEMBL25876641 0.80 ADORA3 (0.36) KMT2A
SCHEMBL25881172 0.79 MAOA (0.38) KMT2AKDM4EHSD17B10GAAHPGD

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