SCHEMBL28652007

SCHEMBL28652007

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
CYP1A2 P05177 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL5143583 0.79 RNPEP (0.44) MMEFOLH1ALDH1A1RNPEPSLC7A5
SCHEMBL5143413 0.75 LDHA (0.42) MMEACELDHASRRFOLH1
Methylmalonic Acid SCHEMBL1478598 0.70 LDHA (0.56) LDHASRRALDH1A1RNPEPCYP1A2
SCHEMBL7684983 0.69 LDHA (0.40) MMEACELDHASRRFOLH1
SCHEMBL1920209 0.67 TP53 (0.50) ALDH1A1RNPEPCYP1A2SLC7A5
SCHEMBL10867392 0.66
SCHEMBL126424 0.66 LDHA (0.42) LDHASRRFOLH1NAALAD2
SCHEMBL11872543 0.66 TDP1 (0.46) LDHASRRFOLH1
SCHEMBL517270 0.65
SCHEMBL6245480 0.64 LDHA (0.40) MMEACELDHASRRALDH1A1

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-113583002-A Synthetic method of glycoluril analogue 兴义民族师范学院 2021-11-02 CN disclosed