SCHEMBL17226121

SCHEMBL17226121

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(N)=O)[C@@H](C)OP(=O)(O)OCCCCCCCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 17/20 0.69
▸ PLK3 Q9H4B4 5/20 0.69
▸ PLK2 Q9NYY3 5/20 0.69
▸ REN P00797 3/20 0.58

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
SCHEMBL464305 1.00 PLK1 (0.69) PLK1PLK3PLK2REN
SCHEMBL464317 1.00 PLK1 (0.69) PLK1PLK3PLK2REN
SCHEMBL7855721 1.00 PLK1 (0.69) PLK1PLK3PLK2REN
SCHEMBL10087709 1.00 PLK1 (0.69) PLK1PLK3PLK2REN
SCHEMBL464372 1.00 PLK1 (0.69) PLK1PLK3PLK2REN
SCHEMBL464208 1.00 PLK1 (0.69) PLK1PLK3PLK2REN
SCHEMBL464083 0.99 PLK1 (0.68) PLK1PLK3PLK2REN
SCHEMBL464334 0.96 PLK1 (0.63) PLK1PLK3PLK2REN
SCHEMBL20920259 0.93 PLK1 (0.60) PLK1PLK3PLK2REN
SCHEMBL20920250 0.93 PLK1 (0.60) PLK1PLK3PLK2REN

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
US-9175038-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2015-11-03 — — US disclosed
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