SCHEMBL5829248

SCHEMBL5829248

N#CC[C@H](O)CC(=O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.37
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1135986 1.00 SLC22A6 (0.37) SLC22A6GABRR1LMNALDHASRR
SCHEMBL3439277 1.00 SLC22A6 (0.37) SLC22A6GABRR1LMNALDHASRR
SCHEMBL197015 0.82
SCHEMBL198166 0.82
SCHEMBL197016 0.82
SCHEMBL6928106 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL6928966 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL6928104 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL6928974 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL1635793 0.80 SLC22A6 (0.55) SLC22A6GABRR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107653238-B Carbonyl reductase gene engineering bacterium immobilized cell and application thereof 浙江工业大学 2021-05-11 CN disclosed
US-RE39333-E1 Process for the preparation of 5-hydroxy-3-oxopentanoic acid derivatives KANEKA CORPORATION (JP) 2006-10-10 US disclosed
EP-1104750-B1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORP (JP) 2004-04-14 EP disclosed
US-6340767-B1 REACTION OF LITHIUM AMIDE WITH ACETIC ACID ESTER AND HYDROXY PROPIONIC ACID KANEKA CORPORATION (JP) 2002-01-22 US disclosed
EP-1104750-A1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2001-06-06 EP disclosed