SCHEMBL30665602

SCHEMBL30665602

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.59
BACE2 Q9Y5Z0 1/20 0.56
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
CTSD P07339 1/20 0.49
PGGT1B P53609 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL30051371 0.91 MME (0.58) FNTAFNTBPGGT1BMMEACE
SCHEMBL29732398 0.87 LTA4H (0.56) FNTAFNTBPGGT1BMMEACE
SCHEMBL4985114 0.87 ACE (0.62) CTSDMMEACECPA1ACE2
SCHEMBL4985096 0.87 ACE (0.62) CTSDMMEACECPA1ACE2
SCHEMBL30665615 0.86 BACE1 (0.63) BACE1BACE2FNTAFNTBCTSD
SCHEMBL30051286 0.84 ACE (0.65) MMEACECPA1ACE2
SCHEMBL30051284 0.84 FNTA (0.59) FNTAFNTBPGGT1BMME
SCHEMBL30051538 0.82 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL30051176 0.82 FNTA (0.68) BACE1BACE2FNTAFNTBPGGT1B
SCHEMBL30592752 0.81 ACE (0.64) CTSDMMEACECPA1ACE2

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-117377464-A Compositions and methods for delivering nucleic acids 波赛达治疗公司 2024-01-09 CN disclosed