SCHEMBL8020376

SCHEMBL8020376

CC(N)C(=O)N(C(=O)OCc1ccccc1)C(CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
SLC15A1 P46059 1/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A1 P43005 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
LTA4H P09960 1/20 0.38
BACE1 P56817 1/20 0.37
MME P08473 1/20 0.37
ECE1 P42892 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC1A2 P43004 1/20 0.36

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
SCHEMBL11301781 0.84 SLC15A1 (0.42) SLC15A1SLC1A3SLC1A1ALDH1A1LTA4H
SCHEMBL27604114 0.83 FOLH1 (0.40) FOLH1SLC1A3SLC1A1ALDH1A1MME
SCHEMBL27604115 0.83 FOLH1 (0.40) FOLH1SLC1A3SLC1A1ALDH1A1MME
SCHEMBL28805500 0.81 SLC15A1 (0.45) SLC15A1SLC1A3SLC1A1ALDH1A1LTA4H
SCHEMBL28805499 0.81 SLC15A1 (0.45) SLC15A1SLC1A3SLC1A1ALDH1A1LTA4H
SCHEMBL7126845 0.78 ALDH1A1 (0.48) FOLH1SLC1A3SLC1A1ALDH1A1MME
SCHEMBL1692048 0.78 ALOX15 (0.52) SLC1A3SLC1A1LTA4HCYP1A2SLC1A2
SCHEMBL1692053 0.78 ALOX15 (0.52) SLC1A3SLC1A1LTA4HCYP1A2SLC1A2
SCHEMBL11121985 0.77 SLC15A1 (0.43) SLC15A1SLC1A3SLC1A1ALDH1A1LTA4H
SCHEMBL5182296 0.77 KMT2A (0.41) FOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106338561-A Quantitative detection method of N-(2)-L-alanyl-L-glutamine intermediate 精晶药业股份有限公司 2017-01-18 CN disclosed
CN-104862363-A Synthetic method for enzymatic benzyloxycarbonyl-alanyl-glutamine UNIV SOUTH CHINA TECH 2015-08-26 CN disclosed
CN-104862363-A Synthetic method for enzymatic benzyloxycarbonyl-alanyl-glutamine UNIV SOUTH CHINA TECH 2015-08-26 CN disclosed
WO-2000059925-A1 A PROCESS FOR THE PRODUCTION OF GLUTAMINE DERIVATIVES AND GLUTAMINE CONTAINING MOLECULES THE UNIVERSITY OF VIRGINIA (US) 2000-10-12 WO disclosed