SCHEMBL11524728

SCHEMBL11524728

CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 1/20 0.54
KLK5 Q9Y337 1/20 0.54
SYK P43405 1/20 0.54
ACE P12821 2/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTSS P25774 3/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 2/20 0.52
TACR1 P25103 1/20 0.51
MBTPS1 Q14703 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
SCHEMBL30872660 1.00 MAPT (0.54) MAPTPOLBMAPK1KLK5SYK
SCHEMBL11524379 0.98 MAPT (0.56) MAPTPOLBMAPK1KLK5SYK
SCHEMBL30487456 0.98 MAPT (0.56) MAPTPOLBMAPK1KLK5SYK
SCHEMBL18239621 0.91 KLK5 (0.52) MAPTPOLBKLK5SYKACE
SCHEMBL2480396 0.91 KLK5 (0.65) POLBKLK5ACECTSSCTSL
SCHEMBL23332639 0.90 KLK5 (0.59) MAPTPOLBKLK5SYKACE
SCHEMBL28582380 0.90 KLK5 (0.59) MAPTPOLBKLK5SYKACE
SCHEMBL30100570 0.89 CTSS (0.56) KLK5SYKACECTSSCTSL
SCHEMBL1673615 0.89 KLK5 (0.56) MAPTPOLBMAPK1KLK5SYK
SCHEMBL1673614 0.89 KLK5 (0.56) MAPTPOLBMAPK1KLK5SYK

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
WO-2024075813-A1 POLYPEPTIDE SYNTHESIS USING DIKETOPIPERAZINE COMPOUND 学校法人中部大学 2024-04-11 WO disclosed
US-4144228-A Methionine5 -enkephalin sulfoxides and sulfones G. D. SEARLE & CO. (US) 1979-03-13 US disclosed