SCHEMBL29580853

SCHEMBL29580853

CC(C)C1OC(=O)C(O)=C1O.[Na]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSPD1 P10809 1/20 0.43
HSPE1 P61604 1/20 0.43
TST Q16762 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6931607 0.98 MAPT (0.57) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL21575597 0.83 MAPT (0.60) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL12138177 0.83 MAPT (0.60) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL14289768 0.83 MAPT (0.60) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL14300895 0.79 MAPT (0.56) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL25573446 0.78 MAPT (0.37) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL14364471 0.78 MAPT (0.37) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL19602911 0.78 MAPT (0.65) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL21300814 0.78 MAPT (0.65) MAPTLMNAL3MBTL1HSPD1HSPE1
SCHEMBL13211430 0.78 MAPT (0.65) MAPTLMNAL3MBTL1HSPD1HSPE1

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
CN-112544619-B Bactericidal composition 沈阳中化农药化工研发有限公司 2022-04-12 CN claimed
CN-112544619-B Bactericidal composition 沈阳中化农药化工研发有限公司 2022-04-12 CN disclosed