SCHEMBL29309809

SCHEMBL29309809

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.69
CTSS P25774 11/20 0.53
CTSK P43235 10/20 0.53
CTSB P07858 4/20 0.53
CTSL P07711 2/20 0.53
ACE P12821 1/20 0.52
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB10 P40306 1/20 0.49
PSMB2 P49721 1/20 0.49
REN P00797 1/20 0.45
PTPN1 P18031 1/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL31374732 0.87 AKT1 (0.61) AKT1CTSSCTSKCTSBCTSL
SCHEMBL28620433 0.87 AKT1 (0.61) AKT1CTSSCTSKCTSBCTSL
SCHEMBL31019379 0.86 CTSS (0.59) AKT1CTSSCTSKCTSBCTSL
SCHEMBL29309808 0.86 CTSS (0.59) AKT1CTSSCTSKCTSBCTSL
SCHEMBL31019380 0.86 CTSS (0.59) AKT1CTSSCTSKCTSBCTSL
SCHEMBL23113662 0.85 AKT1 (0.48) AKT1CTSSCTSKACE
SCHEMBL22207323 0.85 AKT1 (0.69) AKT1CTSSCTSKCTSBCTSL
SCHEMBL22207325 0.85 AKT1 (0.69) AKT1CTSSCTSKCTSBCTSL
SCHEMBL17029473 0.85 AKT1 (0.56) AKT1CTSSCTSKCTSBCTSL
SCHEMBL22915441 0.84 AKT1 (0.83) AKT1CTSSCTSKCTSBCTSL

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
WO-2024143314-A1 RADIOLABELED MEDICINE 国立大学法人千葉大学 2024-07-04 WO disclosed