SCHEMBL28323960

SCHEMBL28323960

CCCC(=O)NC(CC(=O)O)C(=O)O.[NaH]

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
SCHEMBL12426671 0.98 CA2 (0.55) CA2CA4EPHX2NOD1CASP3
SCHEMBL14088908 0.98 CA2 (0.55) CA2CA4EPHX2NOD1CASP3
SCHEMBL28322897 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL28322896 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL28885660 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL28885652 0.96 CA2 (0.53) CA2CA4EPHX2NOD1CASP3
SCHEMBL29027493 0.87 EPHX2 (0.65) CA2CA4EPHX2NOD1SLC6A5
SCHEMBL29027492 0.87 EPHX2 (0.65) CA2CA4EPHX2NOD1SLC6A5
SCHEMBL29056461 0.87 EPHX2 (0.65) CA2CA4EPHX2NOD1SLC6A5
SCHEMBL28244036 0.87 EPHX2 (0.65) CA2CA4EPHX2NOD1SLC6A5

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-A Asparatate fatty acyl group derivative is preparing the application in animal feed additive 黄华成 2019-10-11 CN disclosed