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Sugi Predict / Compounds / SCHEMBL21837569

SCHEMBL21837569

SCHEMBL21837569

C=CCCC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](OC2CCCO2)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 11/20 0.42
▸ ENPP1 P22413 1/20 0.40

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
SCHEMBL21837482 1.00 RNASEL (0.42) RNASELENPP1
SCHEMBL21837486 1.00 RNASEL (0.42) RNASELENPP1
SCHEMBL21837477 1.00 RNASEL (0.42) RNASELENPP1
SCHEMBL21837607 0.94 RNASEL (0.42) RNASELENPP1
SCHEMBL21837617 0.94 RNASEL (0.42) RNASELENPP1
SCHEMBL21952350 0.93 RNASEL (0.42) RNASELENPP1
SCHEMBL21837875 0.93 RNASEL (0.47) RNASELENPP1
SCHEMBL21837878 0.93 RNASEL (0.47) RNASELENPP1
SCHEMBL21952470 0.92 RNASEL (0.41) RNASELENPP1
SCHEMBL21837518 0.89 RNASEL (0.45) RNASELENPP1

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-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP disclosed
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