SCHEMBL24130565

SCHEMBL24130565

NCC(=O)N[C@@H](CN)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
GSTK1 Q9Y2Q3 1/20 0.48
GLO1 Q04760 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ECE1 P42892 1/20 0.37
MME P08473 5/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
CTSC P53634 1/20 0.33
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
AOC3 Q16853 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL24130270 1.00 PTGS1 (0.48) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL29350894 0.87 PTGS1 (0.47) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL7594016 0.86 PTGS1 (0.64) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL7594008 0.86 PTGS1 (0.64) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL29475228 0.84 PTGS1 (0.44) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL29353646 0.84 PTGS1 (0.44) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL29697132 0.84 PTGS1 (0.44) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL29355102 0.84 PTGS1 (0.44) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL2804509 0.84 PTGS1 (0.51) PTGS1GSTK1GLO1ALDH1A1LMNA
SCHEMBL30801495 0.84 PTGS1 (0.44) PTGS1GSTK1GLO1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021256546-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS 味の素株式会社 2021-12-23 WO disclosed