SCHEMBL6409663

SCHEMBL6409663

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ENPEP Q07075 2/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL12951566 0.89 TP53 (0.47) TP53RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL7803516 0.84 RNPEP (0.48) TP53RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL7803514 0.84 RNPEP (0.48) TP53RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL9581116 0.82 NAALAD2 (0.45) TP53RNPEPSLC7A5FOLH1NAALAD2
SCHEMBL18646756 0.81 TP53 (0.36) TP53RNPEPSLC7A5
SCHEMBL16600087 0.79 TSHR (0.45) TP53RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL1869405 0.76
SCHEMBL5499838 0.76
SCHEMBL18562028 0.76
SCHEMBL667584 0.76

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
EP-1602727-A2 Novel erythromycins and process for their preparation Biotica Technology Limited (GB) 2005-12-07 EP disclosed
EP-0909327-B1 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION BIOTICA TECH LTD (GB) 2005-06-01 EP disclosed