SCHEMBL31265327

SCHEMBL31265327

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
BACE1 P56817 7/20 0.41
CTSD P07339 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
LARS1 Q9P2J5 1/20 0.39
MME P08473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL9359920 1.00 SLC7A5 (0.48) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL8651654 0.93 SLC7A5 (0.55) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL3057413 0.93 SLC7A5 (0.55) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL3057410 0.93 SLC7A5 (0.55) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL9359613 0.93 SLC7A5 (0.55) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL31345674 0.93 SLC7A5 (0.55) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
Hydrochloric Acid SCHEMBL17438473 0.92 SLC7A5 (0.53) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL29349635 0.90 SLC7A5 (0.52) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
D-Leucine SCHEMBL8650098 0.90 SLC7A5 (0.62) SLC7A5BACE1CTSDSMN1; SMN2SLC1A3
SCHEMBL30799174 0.90 BACE1 (0.44) SLC7A5BACE1CTSD

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-118853640-A Carbapenem drug-resistant gene and application thereof 郑州大学 2024-10-29 CN disclosed