SCHEMBL29630335

SCHEMBL29630335

CCOC(=O)c1c(C=O)oc2ccc(OCc3cccnc3OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
LMNA P02545 2/20 0.52
PTGS2 P35354 2/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.46
SLC26A4 O43511 1/20 0.46
TSHR P16473 2/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29095861 1.00 MAPT (0.52) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL29630234 0.86 MAPT (0.48) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL29095787 0.86 MAPT (0.48) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL29095764 0.85 MAPT (0.52) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL29630185 0.85 MAPT (0.52) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL24484859 0.83 MAPT (0.63) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL29629694 0.80 SLC26A4 (0.71) MAPTLMNAL3MBTL1SLC26A4TSHR
SCHEMBL24484972 0.80 SLC26A4 (0.71) MAPTLMNAL3MBTL1SLC26A4TSHR
SCHEMBL29095822 0.78 PTGS2 (0.67) MAPTLMNAPTGS2ALDH1A1KDM4E
SCHEMBL24485030 0.78 PTGS2 (0.66) MAPTLMNAPTGS2ALDH1A1KDM4E

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-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed