SCHEMBL28259356

SCHEMBL28259356

CC(C=O)CC(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
TP53 P04637 1/20 0.36
ENPEP Q07075 3/20 0.36
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 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
SCHEMBL5716964 0.82 NAALAD2 (0.45) RNPEPSLC7A5TP53ENPEPFOLH1
SCHEMBL18780397 0.78 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL30887303 0.78 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL20262104 0.78 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL15895448 0.78 RNPEP (0.33) RNPEPSLC7A5TP53SLC1A3SLC1A2
SCHEMBL20262105 0.78 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL13263355 0.76
SCHEMBL6439082 0.76
SCHEMBL12057958 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2204584 0.75 FOLH1 (0.39) ENPEPFOLH1NAALAD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948011-A A kind of preparation method of the sandy star in pula 华南农业大学 2018-12-07 CN claimed
CN-108948011-A A kind of preparation method of the sandy star in pula 华南农业大学 2018-12-07 CN disclosed