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Sugi Predict / Compounds / SCHEMBL20204230

SCHEMBL20204230

SCHEMBL20204230

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCCOCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.82
▸ CTSS P25774 12/20 0.58
▸ CTSK P43235 10/20 0.58
▸ CTSB P07858 4/20 0.58
▸ CTSL P07711 2/20 0.58
▸ SCN9A Q15858 2/20 0.47
▸ ACE P12821 1/20 0.46
▸ CCKAR P32238 1/20 0.46
▸ CCKBR P32239 1/20 0.46
▸ PTPN1 P18031 1/20 0.46

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
SCHEMBL22915477 0.90 AKT1 (1.00) AKT1CTSSCTSKCTSBCTSL
SCHEMBL16837011 0.87 AKT1 (0.60) AKT1CTSSCTSK
SCHEMBL13340022 0.85 CTSS (0.65) AKT1CTSSCTSKCTSBCTSL
SCHEMBL27094013 0.84 CTSS (0.64) AKT1CTSSCTSKCTSBCTSL
SCHEMBL27094017 0.84 CTSS (0.64) AKT1CTSSCTSKCTSBCTSL
SCHEMBL27093814 0.84 CTSS (0.64) AKT1CTSSCTSKCTSBCTSL
SCHEMBL27093808 0.84 CTSS (0.64) AKT1CTSSCTSKCTSBCTSL
SCHEMBL28767105 0.82 AKT1 (0.83) AKT1CTSSCTSKCTSBCTSL
SCHEMBL22915441 0.82 AKT1 (0.83) AKT1CTSSCTSKCTSBCTSL
SCHEMBL21010315 0.81 CTSS (0.79) 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
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 — — US disclosed