SCHEMBL28436451

SCHEMBL28436451

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
SIRT2 Q8IXJ6 6/20 0.48
SIRT1 Q96EB6 4/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
SIRT3 Q9NTG7 3/20 0.47

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
SCHEMBL28436448 1.00 CTSK (0.48) CTSKSIRT2SIRT1PPARGPPARA
SCHEMBL28433307 0.90 BCHE (0.49) CTSKPPARGPPARAMAPTPOLB
SCHEMBL28433305 0.90 BCHE (0.49) CTSKPPARGPPARAMAPTPOLB
SCHEMBL1429859 0.86 PPARA (0.54) CTSKPPARGPPARAMAPTPOLB
SCHEMBL28439246 0.86 SIRT2 (0.51) SIRT2SIRT1SIRT3
SCHEMBL28439247 0.86 SIRT2 (0.51) SIRT2SIRT1SIRT3
SCHEMBL28433139 0.81 PPARA (0.57) CTSKPPARGPPARAMAPT
SCHEMBL28433137 0.81 PPARA (0.57) CTSKPPARGPPARAMAPT
SCHEMBL7700750 0.81 SYK (0.48) CTSKSIRT2SIRT1PPARGPPARA
SCHEMBL7700752 0.81 SYK (0.48) CTSKSIRT2SIRT1PPARGPPARA

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