SCHEMBL9033360

SCHEMBL9033360

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.46
TP53 P04637 1/20 0.40
ECE1 P42892 2/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GABRR1 P24046 2/20 0.35
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL4956215 1.00 SLC7A5 (0.46) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL7632543 1.00 SLC7A5 (0.46) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL9032536 0.84 SLC7A5 (0.38) SLC7A5TP53ECE1ACHELMNA
SCHEMBL593998 0.81 TP53 (0.50) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL30775137 0.81 ACHE (0.43) SLC7A5TP53ACHELMNAALOX15
SCHEMBL6897235 0.78 SLC7A5 (0.42) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL21268828 0.78 TP53 (0.47) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL21269919 0.78 TP53 (0.47) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL21269742 0.78 TP53 (0.47) SLC7A5TP53ECE1SLC1A3SLC1A2
SCHEMBL28314358 0.78 TP53 (0.47) SLC7A5TP53ECE1SLC1A3SLC1A2

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-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP disclosed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed