SCHEMBL7858062

SCHEMBL7858062

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.49
▸ PLK1 P53350 3/20 0.48
▸ CTSD P07339 1/20 0.46
▸ APLNR P35414 3/20 0.44
▸ RAMP3 O60896 2/20 0.43
▸ CALCR P30988 2/20 0.43

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
SCHEMBL7859524 0.96 REN (0.48) RENPLK1CTSDAPLNR
SCHEMBL464254 0.94 PLK1 (0.50) RENPLK1CTSDAPLNRRAMP3
SCHEMBL464257 0.90 PLK1 (0.49) RENPLK1CTSDAPLNRRAMP3
SCHEMBL10087705 0.89 PLK1 (0.48) RENPLK1CTSDAPLNRRAMP3
SCHEMBL15729660 0.85 PLK1 (0.51) RENPLK1CTSDAPLNRRAMP3
SCHEMBL20920295 0.84 PLK1 (0.50) RENPLK1CTSDAPLNRRAMP3
SCHEMBL17226098 0.84 REN (0.61) RENPLK1CTSD
SCHEMBL464364 0.83 PLK1 (0.56) RENPLK1CTSDAPLNRRAMP3
SCHEMBL15729438 0.82 PLK1 (0.50) RENPLK1CTSDAPLNRRAMP3
SCHEMBL7849192 0.82 REN (0.65) RENPLK1CTSD

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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