SCHEMBL29839435

SCHEMBL29839435

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.44
▸ REN P00797 2/20 0.44
▸ ENPEP Q07075 5/20 0.43
▸ NTSR1 P30989 3/20 0.43
▸ NTSR2 O95665 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ TGM2 P21980 1/20 0.41
▸ TASP1 Q9H6P5 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ XIAP P98170 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40

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
SCHEMBL31316151 0.91 F2R (0.43) ACERENENPEPNTSR1NTSR2
SCHEMBL29855215 0.91 BACE1 (0.41) ACERENENPEPNTSR1NTSR2
SCHEMBL29575516 0.90 TGM2 (0.42) ACERENNTSR1NTSR2TGM2
SCHEMBL29630627 0.86 ACE (0.49) ACERENENPEPNTSR1NTSR2
SCHEMBL29590352 0.86 BACE1 (0.46) ACERENNTSR1NTSR2BACE1
SCHEMBL31461992 0.85 EP300 (0.43) NTSR1NTSR2TGM2AGTR1AGTR2
SCHEMBL29727005 0.85 AGTR2 (0.47) ENPEPNTSR1NTSR2BACE1AGTR1
SCHEMBL29727004 0.85 AGTR2 (0.47) ENPEPNTSR1NTSR2BACE1AGTR1
SCHEMBL31215114 0.83 CAPN1 (0.50) NTSR1NTSR2
SCHEMBL30792488 0.83 ACE (0.49) ACEREN

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-116333071-A Insecticidal proteins from plants and methods of use thereof 先锋国际良种公司 2023-06-27 — — CN disclosed
CN-110087471-B Insecticidal proteins from plants and methods of use thereof 先锋国际良种公司 2022-08-16 — — CN disclosed
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