SCHEMBL28885652

SCHEMBL28885652

CCCC(=O)N[C@@H](CC(=O)O)C(=O)O.[Zn]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
EPHX2 P34913 2/20 0.51
NOD1 Q9Y239 3/20 0.47
CASP3 P42574 1/20 0.42
GNPAT O15228 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FFAR3 O14843 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL28322897 1.00 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL14088908 0.98 CA2 (0.55) CA2CA4EPHX2NOD1CASP3
SCHEMBL12426671 0.98 CA2 (0.55) CA2CA4EPHX2NOD1CASP3
SCHEMBL28885660 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL28323960 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL28322896 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL16124694 0.87 EPHX2 (0.60) CA2CA4EPHX2NOD1GNPAT
SCHEMBL27907741 0.86 EPHX2 (0.67) EPHX2NOD1SLC6A5
SCHEMBL27907740 0.86 EPHX2 (0.67) EPHX2NOD1SLC6A5
SCHEMBL13674348 0.86 CA2 (0.62) CA2CA4EPHX2NOD1CASP3

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
CN-110325052-B Application of aspartic acid fatty acyl derivative in preparation of animal feed additive 彭险峰 2022-11-18 CN disclosed