SCHEMBL6558952

SCHEMBL6558952

CC(C)CC([C]=O)NC(=O)C(N)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
FAP Q12884 1/20 0.46
CTSC P53634 1/20 0.39
SLC7A5 Q01650 2/20 0.35
ANPEP P15144 4/20 0.33
DNPEP Q9ULA0 2/20 0.33
LAP3 P28838 4/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
RNPEP Q9H4A4 2/20 0.31

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
SCHEMBL27601749 1.00 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL4638730 1.00 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL4095830 0.88 DPP4 (0.35) DPP4DPP8DPP9DPP7FAP
SCHEMBL5662018 0.85 PSMB5 (0.37) DPP4DPP8DPP9DPP7FAP
SCHEMBL5662013 0.85 PSMB5 (0.37) DPP4DPP8DPP9DPP7FAP
SCHEMBL1796260 0.85 DPP4 (0.42) DPP4DPP8DPP7SLC7A5ANPEP
SCHEMBL2182010 0.85 TERT (0.36) DPP4DPP8DPP9DPP7FAP
SCHEMBL21625553 0.84 SLC7A5 (0.45) CTSCSLC7A5ANPEPDNPEPSLC1A3
SCHEMBL11347411 0.84 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL7139196 0.84 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 EP claimed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US claimed
EP-0998488-A1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2000-05-10 EP claimed
WO-1999002549-A1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-21 WO claimed
EP-0000063-B1 DIPEPTIDE DERIVATIVES OF 7-(N-ALPHA-SUBSTITUTED OR NON-SUBSTITUTED X-ARGINYL)-AMINO-4-METHYL-COUMARIN AJINOMOTO CO., INC. (JP) 1981-06-10 EP claimed
US-4237047-A FLUORESCENT SUBSTRATE FOR MEASURING ENZYME ACTIVITY AJINOMOTO COMPANY, INCORPORATED (JP) 1980-12-02 US claimed
JP-57176940-A None JP disclosed
JP-58090535-A None JP disclosed
CN-117362739-A Polypeptide-based molecularly imprinted polymer/quantum composite material, preparation method and application 齐鲁工业大学(山东省科学院) 2024-01-09 CN disclosed
EP-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 EP disclosed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US disclosed
EP-0998488-A1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2000-05-10 EP disclosed
WO-1999002549-A1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-21 WO disclosed
JP-S5890535-A NOVEL COLOR-DEVELOPING PEPTIDE DERIVATIVE WAKO PURE CHEM IND LTD 1983-05-30 JP disclosed
JP-S57176940-A NOVEL COLOR-DEVELOPING PEPTIDE DERIVATIVE WAKO PURE CHEM IND LTD 1982-10-30 JP disclosed
EP-0000063-B1 DIPEPTIDE DERIVATIVES OF 7-(N-ALPHA-SUBSTITUTED OR NON-SUBSTITUTED X-ARGINYL)-AMINO-4-METHYL-COUMARIN AJINOMOTO CO., INC. (JP) 1981-06-10 EP disclosed
US-4237047-A FLUORESCENT SUBSTRATE FOR MEASURING ENZYME ACTIVITY AJINOMOTO COMPANY, INCORPORATED (JP) 1980-12-02 US disclosed
US-4237047-A FLUORESCENT SUBSTRATE FOR MEASURING ENZYME ACTIVITY AJINOMOTO COMPANY, INCORPORATED (JP) 1980-12-02 US disclosed
US-4215047-A FLUOROGENIC SUBSTRATES FOR DETERMINING ENZYMATIC ACTIVITIES AJINOMOTO COMPANY INCORPORATED (JP) 1980-07-29 US disclosed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed