SCHEMBL28434255

SCHEMBL28434255

CCCCCCCCCCCCCCCCOC(=O)NCCSC[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.47
TLR2 O60603 2/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
ACHE P22303 11/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28434453 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNATLR2
SCHEMBL28430465 0.88 ALDH1A1 (0.47) TLR2HTT
SCHEMBL28430468 0.88 ALDH1A1 (0.47) TLR2HTT
SCHEMBL1429727 0.87 SLC1A3 (0.56) SMN1; SMN2LMNASLC1A3SLC1A1HTT
SCHEMBL28433106 0.84 SIRT2 (0.48) SMN1; SMN2NPC1RAB9ALMNATLR2
SCHEMBL28433105 0.84 SIRT2 (0.48) SMN1; SMN2NPC1RAB9ALMNATLR2
SCHEMBL28433307 0.82 BCHE (0.49) TLR2ACHEMAPT
SCHEMBL28433305 0.82 BCHE (0.49) TLR2ACHEMAPT
SCHEMBL10825360 0.80 SLC1A3 (0.62) SMN1; SMN2LMNASLC1A3SLC1A1HTT
SCHEMBL15372902 0.80 SLC1A3 (0.62) SMN1; SMN2LMNASLC1A3SLC1A1HTT

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
CN-111484543-B Lipopeptide TLR2 agonist and medicinal composition and application thereof 复旦大学 2023-03-28 CN disclosed
CN-111484543-A Lipopeptide T L R2 agonist and medicinal composition and application thereof 复旦大学 2020-08-04 CN disclosed