SCHEMBL21850104

SCHEMBL21850104

CC(C)C(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.31
PSMB5 P28074 2/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL9974352 0.83 DPP4 (0.35) DPP4
SCHEMBL14756211 0.78 KDM4E (0.34) PSMB5
SCHEMBL21954017 0.78 CA1 (0.34) PSMB5
SCHEMBL29311825 0.78 CA1 (0.34) PSMB5
SCHEMBL25129634 0.78 PSMB5 (0.47) PSMB5
SCHEMBL24764834 0.78 HDAC4 (0.33) RECQLDPP4
SCHEMBL24765242 0.78 EGLN1 (0.39) RECQLDPP4
SCHEMBL25129531 0.78 ALDH1A1 (0.38) PSMB5DPP4
SCHEMBL24766205 0.78 EGLN1 (0.39) RECQLDPP4
SCHEMBL25129619 0.78 ALDH1A1 (0.38) PSMB5DPP4

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-2020067557-A2 GIP RECEPTOR AGONIST PEPTIDE COMPOUNDS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-02 WO disclosed