Sugi Predict

Sugi Predict / Compounds / SCHEMBL16119260

SCHEMBL16119260

SCHEMBL16119260

COCCOCCC(=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](C)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)OCCCCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 11/20 0.55
▸ PLK3 Q9H4B4 3/20 0.55
▸ PLK2 Q9NYY3 3/20 0.55
▸ REN P00797 7/20 0.51
▸ CTSD P07339 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
SCHEMBL17518829 1.00 PLK1 (0.55) PLK1PLK3PLK2RENCTSD
SCHEMBL15729394 0.96 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL15729366 0.96 PLK1 (0.56) PLK1PLK3PLK2RENCTSD
SCHEMBL15729400 0.96 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL15729345 0.96 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL15729420 0.96 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL15729424 0.95 PLK1 (0.60) PLK1PLK3PLK2REN
SCHEMBL464334 0.92 PLK1 (0.63) PLK1PLK3PLK2REN
SCHEMBL20920250 0.90 PLK1 (0.60) PLK1PLK3PLK2REN
SCHEMBL20920222 0.90 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
WO-2014153101-A2 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS 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) 2014-09-25 — — WO disclosed
Send feedback