SCHEMBL21828643

SCHEMBL21828643

NCCCCC(N)C(=O)NC(CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.55
CPB2 Q96IY4 3/20 0.49
ACE P12821 1/20 0.49
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
FOLH1 Q04609 2/20 0.46
RNPEP Q9H4A4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 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
SCHEMBL14957758 1.00 GSR (0.55) GSRCPB2ACEDPP8DPP9
SCHEMBL29517180 1.00 GSR (0.55) GSRCPB2ACEDPP8DPP9
SCHEMBL28326503 1.00 GSR (0.55) GSRCPB2ACEDPP8DPP9
Hydrochloric Acid SCHEMBL28326501 0.98 GSR (0.53) GSRCPB2ACEDPP8DPP9
Hydrochloric Acid SCHEMBL28326499 0.98 GSR (0.53) GSRCPB2ACEDPP8DPP9
Hydrochloric Acid SCHEMBL28326507 0.98 GSR (0.53) GSRCPB2ACEDPP8DPP9
SCHEMBL29963837 0.97 GSR (0.51) GSRCPB2ACEDPP8DPP9
SCHEMBL16770238 0.97 GSR (0.51) GSRCPB2ACEDPP8DPP9
SCHEMBL29706366 0.95 GSR (0.50) GSRCPB2ACEDPP8DPP9
SCHEMBL30671932 0.92 GSR (0.50) GSRCPB2ACEDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105755180-B The defecation method of sugar-cane juice 广西大学 2019-05-10 CN claimed
CN-105755180-A Method of clarifying sugarcane juice 广西大学 2016-07-13 CN claimed
CN-1452498-A pharmaceutically active compounds NORGINE EUROPE BV (NL) 2003-10-29 CN claimed
WO-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 WO disclosed
CN-110418837-A Culture medium comprising oligopeptides EVONIK TECHNOCHEMIE GMBH 2019-11-05 CN disclosed
CN-105755180-B The defecation method of sugar-cane juice 广西大学 2019-05-10 CN disclosed
CN-105755180-A Method of clarifying sugarcane juice 广西大学 2016-07-13 CN disclosed
CN-1452498-A pharmaceutically active compounds NORGINE EUROPE BV (NL) 2003-10-29 CN disclosed