SCHEMBL28620704

SCHEMBL28620704

CC(C)(C)OC(=O)NCc1cccc(C(=O)NCC(=O)NC(CCCCN2C(=O)C=CC2=O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 5/20 0.40
▸ PAX8 Q06710 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ FOLH1 Q04609 3/20 0.38
▸ CTSK P43235 1/20 0.38
▸ GLS O94925 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37

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
SCHEMBL31441165 1.00 AKT1 (0.44) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL23113657 0.93 AKT1 (0.46) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL31374693 0.90 NAMPT (0.42) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL22207315 0.89 FNTA (0.50) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL22207314 0.89 FNTA (0.50) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL31441166 0.87 FOLH1 (0.42) AKT1MAPTMEN1KMT2ANPSR1
Trifluoroacetic Acid SCHEMBL31441171 0.86 AKT1 (0.44) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL22207235 0.85 AKT1 (0.45) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL22207234 0.85 AKT1 (0.45) AKT1MAPTMEN1KMT2ANPSR1
SCHEMBL23113658 0.85 AKT1 (0.40) AKT1MEN1KMT2ANAMPTGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113301920-A Complexes comprising ligands, spacers, peptide linkers and biomolecules 安斯泰来制药株式会社 2021-08-24 — — CN disclosed
CN-113271973-A Complex comprising a ligand and a CEACAM5 antibody Fab fragment 安斯泰来制药株式会社 2021-08-17 — — CN disclosed
CN-112135841-A Complexes comprising anti-human MUC1 antibody Fab fragments, peptide linkers, and/or ligands 安斯泰来制药株式会社 2020-12-25 — — CN disclosed
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