SCHEMBL9544381

SCHEMBL9544381

CC(NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
BACE1 P56817 14/20 0.51
CTSD P07339 4/20 0.51
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
CYP1A2 P05177 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIA4 P48058 1/20 0.44

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
SCHEMBL9544389 1.00 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29777789 1.00 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30463268 0.97 DPP4 (0.56) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29517333 0.97 DPP4 (0.56) DPP4DPP8DPP9BACE1CTSD
SCHEMBL9293719 0.96 BACE1 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL9293727 0.96 BACE1 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29777835 0.95 BACE1 (0.53) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30479086 0.95 BACE1 (0.53) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29777826 0.95 BACE1 (0.53) DPP4DPP8DPP9BACE1CTSD
SCHEMBL30799949 0.93 BACE1 (0.48) DPP4DPP8DPP9BACE1CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993009233-A2 RECOMBINANT AMYLOID PRECURSOR PROTEIN INHIBITOR DOMAIN AND TREATMENT OF VARIOUS DISEASE STATES THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES INC. (US) 1993-05-13 WO disclosed
WO-1991005057-A1 CD4 PRODUCTION IN PICHIA PASTORIS THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-04-18 WO disclosed
EP-0206783-A2 Expression and secretion of polypeptides from saccharomyces cerevisiae The Salk Institute Biotechnology Industrial Associates, Inc. (US) 1986-12-30 EP disclosed