SCHEMBL29786808

SCHEMBL29786808

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CPT2 P23786 1/20 0.34
ACLY P53396 1/20 0.34

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
SCHEMBL2454821 0.85 LMNA (0.34) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL30970938 0.84 PDE4A (0.43) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL706623 0.82 ACLY (0.33) ACLY
SCHEMBL988316 0.81 PDE4A (0.41) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL6889487 0.79 PDE4A (0.39) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL29003669 0.77 PDE4A (0.37) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL6533666 0.76 ACLY (0.32) ACLY
SCHEMBL3430764 0.76 ACLY (0.32) ACLY
SCHEMBL30234257 0.76 PDE4A (0.43) PDE4ALMNAUSP2SLCO1B1L3MBTL1
SCHEMBL28064686 0.76 PDE4A (0.43) PDE4ALMNAUSP2SLCO1B1L3MBTL1

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-115215886-B Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2024-10-11 CN disclosed
CN-109641899-B Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2022-07-22 CN disclosed