SCHEMBL29973202

SCHEMBL29973202

CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.50
ACE P12821 1/20 0.48
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
AKT1 P31749 1/20 0.47
MAOA P21397 1/20 0.46
PABPC1 P11940 1/20 0.44
SCN9A Q15858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
SYK P43405 1/20 0.42
APP P05067 1/20 0.42
ATM Q13315 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3171386 0.90 CTSS (0.56) KLK5ACECTSSCTSKCTSB
SCHEMBL7060490 0.90 CTSS (0.56) KLK5ACECTSSCTSKCTSB
SCHEMBL1032021 0.90 CTSS (0.56) KLK5ACECTSSCTSKCTSB
SCHEMBL21862213 0.89 CTSS (0.52) KLK5ACECTSSCTSKCTSB
SCHEMBL9044348 0.87 ALDH1A1 (0.47) ACECTSSCTSKCTSBCTSL
SCHEMBL29484191 0.86 CTSS (0.57) KLK5ACECTSSCTSKCTSB
SCHEMBL23332639 0.85 KLK5 (0.59) KLK5ACECTSSCTSKCTSB
SCHEMBL28582380 0.85 KLK5 (0.59) KLK5ACECTSSCTSKCTSB
SCHEMBL11080212 0.84 KLK5 (0.67) KLK5ACECTSSCTSKCTSB
SCHEMBL18206853 0.82 CTSS (0.50) KLK5ACECTSSCTSKCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 EP disclosed