SCHEMBL6671876

SCHEMBL6671876

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.43
SLC1A1 P43005 4/20 0.39
SLC1A3 P43003 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 2/20 0.38
SLC1A2 P43004 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR6 P51684 1/20 0.36
PAX8 Q06710 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
SCHEMBL36612 0.88 LTA4H (0.41) SLC15A1SLC1A1SLC1A3ALDH1A1LTA4H
SCHEMBL30259536 0.88 LTA4H (0.41) SLC15A1SLC1A1SLC1A3ALDH1A1LTA4H
SCHEMBL7314530 0.87 SLC15A1 (0.51) SLC15A1SLC1A1SLC1A3ALDH1A1ABCB1
SCHEMBL7314517 0.87 SLC15A1 (0.51) SLC15A1SLC1A1SLC1A3ALDH1A1ABCB1
SCHEMBL10908162 0.84 ANPEP (0.45) SLC15A1SLC1A1SLC1A3ALDH1A1
SCHEMBL7621765 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11121985 0.79 SLC15A1 (0.43) SLC15A1SLC1A1SLC1A3ALDH1A1ABCB1
SCHEMBL9826432 0.78 LTA4H (0.41) SLC15A1SLC1A1SLC1A3ALDH1A1ABCB1
SCHEMBL7782945 0.77 ALDH1A1 (0.50) SLC15A1SLC1A1SLC1A3ALDH1A1KMT2A
SCHEMBL14514418 0.77 ALDH1A1 (0.50) SLC15A1SLC1A1SLC1A3ALDH1A1KMT2A

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
EP-0693556-B1 TRANSGLUTAMINASE ORIGINATING IN JAPANESE OYSTER AJINOMOTO KK (JP) 2004-10-06 EP disclosed
US-5736356-A CULTIVATION OF TRANSFORMED CELL AS GELLING AGENT FOR GELATION OF PROTEIN SOLUTION OR SLURRY AJINOMOTO CO., INC. (JP) 1998-04-07 US disclosed
EP-0693556-A1 TRANSGLUTAMINASE ORIGINATING IN JAPANESE OYSTER Ajinomoto Co., Inc. (JP) 1996-01-24 EP disclosed