SCHEMBL8020544

SCHEMBL8020544

CCOC(=O)C(C)=CC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
LMNA P02545 3/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL21274469 1.00 PDE4A (0.41) PDE4ALMNACYP2D6CYP2C19NPSR1
SCHEMBL27029518 0.87 PDE4A (0.40) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29029329 0.84 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL27467084 0.83 PDE4A (0.37) PDE4ALMNA
SCHEMBL27557503 0.79 PDE4A (0.39) PDE4ALMNANPSR1L3MBTL1TDP1
SCHEMBL27725843 0.79 PDE4A (0.39) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL21357608 0.79 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL9301801 0.79 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
Acetone SCHEMBL18825319 0.75 PDE4A (0.50) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL2117987 0.75 PDE4A (0.54) PDE4ALMNAL3MBTL1TDP1USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601540-A Biopharmaceuticals for reducing lipid content in cells 约翰内斯堡威特沃特斯兰德大学 2021-04-02 CN claimed
CN-110769800-B Cosmetic composition containing fullerene 维生素C60生化学研究公司 2022-06-28 CN disclosed
CN-112601540-A Biopharmaceuticals for reducing lipid content in cells 约翰内斯堡威特沃特斯兰德大学 2021-04-02 CN disclosed
WO-2000040662-A1 COATING COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2000-07-13 WO disclosed