SCHEMBL28897027

SCHEMBL28897027

CC(C)(C)OC(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ KLK7 P49862 2/20 0.53
▸ KLK5 Q9Y337 2/20 0.53
▸ ANPEP P15144 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49

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
SCHEMBL30266615 1.00 MAPT (0.54) MAPTKLK7KLK5ANPEPPOLB
SCHEMBL30266675 1.00 MAPT (0.54) MAPTKLK7KLK5ANPEPPOLB
SCHEMBL28436040 1.00 MAPT (0.54) MAPTKLK7KLK5ANPEPPOLB
SCHEMBL28431032 0.98 MAPT (0.55) MAPTKLK7KLK5ANPEPPOLB
SCHEMBL28431835 0.98 MAPT (0.55) MAPTKLK7KLK5ANPEPPOLB
SCHEMBL23447583 0.94 MEN1 (0.53) MAPTKLK7KLK5ANPEPPOLB
SCHEMBL30266826 0.93 MAPT (0.51) MAPTKLK7KLK5POLBMAPK1
SCHEMBL28896921 0.93 MAPT (0.51) MAPTKLK7KLK5POLBMAPK1
SCHEMBL20530079 0.92 MAPT (0.58) MAPTKLK7KLK5ANPEPMEN1
SCHEMBL20530077 0.92 MAPT (0.58) MAPTKLK7KLK5ANPEPMEN1

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
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