SCHEMBL29329357

SCHEMBL29329357

COC1[C@H]2OC(C)(C)O[C@@H]2O[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
GLB1 P16278 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
THPO P40225 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12408768 1.00 CA2 (0.41) CA2CA1CA9GLB1LMNA
SCHEMBL8960307 1.00 CA2 (0.41) CA2CA1CA9GLB1LMNA
SCHEMBL16907935 1.00 CA2 (0.41) CA2CA1CA9GLB1LMNA
SCHEMBL15691484 1.00 CA2 (0.41) CA2CA1CA9GLB1LMNA
SCHEMBL19132623 1.00 CA2 (0.41) CA2CA1CA9GLB1LMNA
SCHEMBL7152794 0.95 CA2 (0.40) CA2CA1CA9GLB1LMNA
SCHEMBL11658583 0.87 CA2 (0.39) CA2CA1CA9GLB1LMNA
SCHEMBL22666171 0.84 CA2 (0.42) CA2CA1CA9GLB1LMNA
SCHEMBL27050775 0.84 CA2 (0.42) CA2CA1CA9GLB1LMNA
SCHEMBL26533878 0.84 CA2 (0.42) CA2CA1CA9GLB1LMNA

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
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed