SCHEMBL28433307

SCHEMBL28433307

CCCCCCCCCCCCCCCCOC(=O)NCCSCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CTSK P43235 2/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL28433305 1.00 BCHE (0.49) BCHEACHECTSKPPARGPPARA
SCHEMBL28436451 0.90 CTSK (0.48) CTSKPPARGPPARAMAPTPOLB
SCHEMBL28436448 0.90 CTSK (0.48) CTSKPPARGPPARAMAPTPOLB
SCHEMBL1429859 0.90 PPARA (0.54) CTSKPPARGPPARAMAPTPOLB
SCHEMBL7700752 0.89 SYK (0.48) CTSKPPARGPPARAMAPTSYK
SCHEMBL7700750 0.89 SYK (0.48) CTSKPPARGPPARAMAPTSYK
SCHEMBL28433106 0.87 SIRT2 (0.48) BCHEACHEMEN1KMT2ATLR2
SCHEMBL28433105 0.87 SIRT2 (0.48) BCHEACHEMEN1KMT2ATLR2
SCHEMBL2215841 0.84 PPARA (0.63) PPARGPPARAMAPTSYK
SCHEMBL6766498 0.84 PPARA (0.63) PPARGPPARAMAPTSYK

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