SCHEMBL31374698

SCHEMBL31374698

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.39
▸ FOLH1 Q04609 2/20 0.35
▸ PTGS1 P23219 7/20 0.34
▸ PTGS2 P35354 7/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MGLL Q99685 4/20 0.33
▸ FAAH O00519 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL28620922 1.00 AKT1 (0.39) AKT1FOLH1PTGS1PTGS2ALDH1A1
SCHEMBL28620366 0.90 AKT1 (0.52) AKT1ACE
SCHEMBL31374730 0.90 AKT1 (0.52) AKT1ACE
SCHEMBL29333170 0.81 AKT1 (0.55) AKT1PTGS1PTGS2ALDH1A1TSHR
SCHEMBL23113662 0.80 AKT1 (0.48) AKT1FOLH1PTGS1PTGS2ALDH1A1
SCHEMBL28620371 0.76 FOLH1 (0.41) AKT1FOLH1PTGS1PTGS2ALDH1A1
SCHEMBL28624841 0.76 AKT1 (0.51) AKT1ACE
SCHEMBL22044586 0.76 AKT1 (0.48) AKT1FOLH1ALDH1A1TSHRMAPT
SCHEMBL31235812 0.75 AKT1 (0.42) AKT1FOLH1PTGS1PTGS2ACE
SCHEMBL28620369 0.74 AKT1 (0.41) AKT1PTGS1PTGS2ALDH1A1MGLL

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
CN-113301920-B Complexes comprising a ligand, a spacer, a peptide linker and a biomolecule 安斯泰来制药株式会社 2025-01-14 — — CN disclosed
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