SCHEMBL17226098

SCHEMBL17226098

CC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 14/20 0.61
▸ CTSD P07339 1/20 0.54
▸ PLK1 P53350 3/20 0.52
▸ PLK3 Q9H4B4 2/20 0.49
▸ PLK2 Q9NYY3 2/20 0.49
▸ TRHR P34981 1/20 0.47

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
SCHEMBL7852891 0.96 REN (0.65) RENCTSDPLK1PLK3PLK2
SCHEMBL7842935 0.96 REN (0.65) RENCTSDPLK1PLK3PLK2
SCHEMBL7849192 0.96 REN (0.65) RENCTSDPLK1PLK3PLK2
SCHEMBL13470161 0.91 REN (0.56) RENCTSDPLK1TRHR
SCHEMBL15729472 0.91 REN (0.56) RENCTSDPLK1PLK3PLK2
SCHEMBL464364 0.89 PLK1 (0.56) RENCTSDPLK1PLK3PLK2
SCHEMBL464377 0.87 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930126 0.87 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930164 0.87 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930127 0.87 PLK1 (0.70) RENPLK1PLK3PLK2

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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