SCHEMBL23042952

SCHEMBL23042952

CCOC(=O)C(Cc1ccccc1)(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 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.33
▸ NT5E P21589 3/20 0.33
▸ CPB2 Q96IY4 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
SCHEMBL23042861 0.88 ALDH1A1 (0.30) —
SCHEMBL23042876 0.79 ALDH1A1 (0.33) —
SCHEMBL23043039 0.77 PI4KA (0.34) —
SCHEMBL23052610 0.72 NT5E (0.36) NT5E
SCHEMBL23043076 0.71 NT5E (0.43) NT5E
SCHEMBL23043472 0.69 — —
SCHEMBL23042818 0.68 NT5E (0.45) NT5E
SCHEMBL23042877 0.66 PDE1B (0.33) —
SCHEMBL19948730 0.65 NT5E (0.54) NT5E
SCHEMBL23042853 0.65 ADORA3 (0.36) —

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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