SCHEMBL23042861

SCHEMBL23042861

CCOC(=O)C(OC[C@H]1O[C@@H](c2cnc3c(N(Cc4ccccc4)C(=O)OC(C)(C)C)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21)C(=O)OCC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL23042952 0.88 GPR119 (0.33) —
SCHEMBL23042876 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23052610 0.79 NT5E (0.36) —
SCHEMBL23043039 0.78 PI4KA (0.34) ALDH1A1
SCHEMBL23043472 0.71 — —
SCHEMBL23042877 0.68 PDE1B (0.33) ALDH1A1
SCHEMBL23042853 0.66 ADORA3 (0.36) ALDH1A1
SCHEMBL23043040 0.66 ADORA3 (0.37) ALDH1A1
SCHEMBL17213460 0.64 NT5E (0.47) ALDH1A1
SCHEMBL19961970 0.63 NT5E (0.47) —

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
WO-2021040356-A1 C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION KAINOS MEDICINE, INC. (KR) 2021-03-04 — — WO disclosed
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