SCHEMBL28972790

SCHEMBL28972790

N=CCNC(CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.52
NAALAD2 Q9Y3Q0 3/20 0.52
RIMKLA Q8IXN7 1/20 0.52
GGH Q92820 1/20 0.44
GAA P10253 1/20 0.41
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 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
SCHEMBL910807 0.81 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHGAA
SCHEMBL910826 0.81 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHGAA
SCHEMBL910825 0.81 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHGAA
SCHEMBL28882688 0.80 CA2 (0.39) FOLH1NAALAD2RIMKLAGAA
SCHEMBL28882690 0.80 CA2 (0.39) FOLH1NAALAD2RIMKLAGAA
SCHEMBL27683390 0.79 FOLH1 (0.50) FOLH1NAALAD2RIMKLAGGHGAA
Hydrochloric Acid SCHEMBL8726784 0.79 FOLH1 (0.50) FOLH1NAALAD2RIMKLAGGHGAA
Hydrochloric Acid SCHEMBL8726781 0.79 FOLH1 (0.50) FOLH1NAALAD2RIMKLAGGHGAA
SCHEMBL10355087 0.79 FOLH1 (0.50) FOLH1NAALAD2RIMKLAGGHGAA
SCHEMBL30678514 0.79 FOLH1 (0.31) FOLH1NAALAD2RIMKLAGGH

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-111505189-B Method for establishing influence of amoxicillin concentration on lactobacillus acidophilus based on metabonomics 广西医科大学 2023-02-07 CN claimed