SCHEMBL31542046

SCHEMBL31542046

N#CC(=O)[C@](O)(Cl)[C@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TOP1 P11387 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL29879125 0.79 PDE4A (0.43) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6817366 0.79 PDE4A (0.43) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6813499 0.76 LMNA (0.42) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL671775 0.67 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL18259772 0.67 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL8413989 0.67 USP2 (0.41) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL2773023 0.67 PDE4A (0.43) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL18825609 0.66 USP2 (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL9763747 0.66 USP2 (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL8465616 0.66 PDE4A (0.46) LMNAL3MBTL1PDE4ATDP1USP2

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-119707924-A Quaternary ring amide compound and application thereof 青岛清原化合物有限公司 2025-03-28 CN disclosed
CN-119638618-A Quaternary ring amide compound and application thereof 青岛清原化合物有限公司 2025-03-18 CN disclosed