SCHEMBL7849192

SCHEMBL7849192

CC(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.65
▸ CTSD P07339 1/20 0.57
▸ PLK1 P53350 2/20 0.54
▸ CAPN1 P07384 4/20 0.51
▸ PLK3 Q9H4B4 1/20 0.51
▸ PLK2 Q9NYY3 1/20 0.51
▸ CTSB P07858 2/20 0.50

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
SCHEMBL7842935 1.00 REN (0.65) RENCTSDPLK1CAPN1PLK3
SCHEMBL7852891 1.00 REN (0.65) RENCTSDPLK1CAPN1PLK3
SCHEMBL17226098 0.96 REN (0.61) RENCTSDPLK1PLK3PLK2
SCHEMBL13470161 0.89 REN (0.56) RENCTSDPLK1
SCHEMBL464364 0.89 PLK1 (0.56) RENCTSDPLK1PLK3PLK2
SCHEMBL15729472 0.88 REN (0.56) RENCTSDPLK1PLK3PLK2
SCHEMBL464377 0.88 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930127 0.88 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930164 0.88 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930126 0.88 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
WO-2010132869-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-18 — — WO disclosed
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