SCHEMBL21896183

SCHEMBL21896183

Nc1ccn(C2O[C@H](COP(=O)(O)O)CC2O)c(=O)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ POLG P54098 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ P2RY2 P41231 4/20 0.48
▸ P2RY4 P51582 3/20 0.48
▸ P2RY6 Q15077 2/20 0.48
▸ POLA1 P09884 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ NT5E P21589 1/20 0.45
▸ ST6GAL1 P15907 4/20 0.45

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
SCHEMBL12648719 1.00 POLB (0.56) POLBPOLGLMNATHRBMTOR
SCHEMBL21895965 1.00 POLB (0.56) POLBPOLGLMNATHRBMTOR
SCHEMBL30237951 1.00 POLB (0.56) POLBPOLGLMNATHRBMTOR
SCHEMBL6258019 0.92 POLG (0.59) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL16807802 0.90 POLG (0.62) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL22678641 0.90 POLG (0.62) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL6715777 0.90 POLG (0.62) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL6715771 0.90 POLG (0.62) POLBPOLGP2RY2P2RY4P2RY6
SCHEMBL18102349 0.89 POLB (0.49) POLBPOLGLMNATHRBMTOR
SCHEMBL22508591 0.87 P2RY2 (0.54) POLBPOLGP2RY2P2RY4P2RY6

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
Send feedback