SCHEMBL28620363

SCHEMBL28620363

CC(C)(C)OC(=O)[C@H](CCCCN1C(=O)C=CC1=O)N(C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.47
▸ MAOA P21397 1/20 0.38
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ TPSAB1 Q15661 2/20 0.36
▸ TPSD1 Q9BZJ3 2/20 0.36
▸ TPSG1 Q9NRR2 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PAX8 Q06710 1/20 0.34

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
SCHEMBL28922741 0.83 AKT1 (0.56) AKT1MAOAITGA4ITGB7ACE
SCHEMBL28922739 0.83 AKT1 (0.56) AKT1MAOAITGA4ITGB7ACE
SCHEMBL28620920 0.80 MGLL (0.36) AKT1TPSAB1TPSD1TPSG1MAPT
SCHEMBL28620369 0.78 AKT1 (0.41) AKT1TDP1POLBMAPTMEN1
SCHEMBL28624848 0.78 AKT1 (0.41) AKT1TDP1POLBMAPTMEN1
SCHEMBL29051005 0.77 ACE (0.41) ITGA4ITGB7ACEKLK5MEN1
Trifluoroacetic Acid SCHEMBL3048271 0.77 AKT1 (0.42) AKT1ACE
SCHEMBL9317429 0.77 TPSAB1 (0.48) KLK5TPSAB1TPSD1TPSG1POLB
Trifluoroacetic Acid SCHEMBL22207651 0.76 AKT1 (0.43) AKT1MAOATDP1POLBMAPT
Trifluoroacetic Acid SCHEMBL22207652 0.76 AKT1 (0.43) AKT1MAOATDP1POLBMAPT

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
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
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