SCHEMBL30411890

SCHEMBL30411890

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 3/20 0.45
▸ NTSR1 P30989 3/20 0.45
▸ SORT1 Q99523 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ XIAP P98170 1/20 0.44

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
SCHEMBL31665888 1.00 NTSR2 (0.45) NTSR2NTSR1SORT1KMT2AL3MBTL1
SCHEMBL29802029 0.87 ACE (0.48) —
SCHEMBL30490571 0.87 ACE (0.47) —
SCHEMBL31289506 0.86 ACE (0.47) NTSR2NTSR1SORT1
SCHEMBL30411733 0.85 GRB2 (0.54) NTSR2NTSR1SORT1XIAP
SCHEMBL29609766 0.83 ACE (0.51) —
SCHEMBL30490569 0.83 ACE (0.50) NTSR2NTSR1
SCHEMBL30973972 0.83 ACE (0.50) NTSR2NTSR1
SCHEMBL30051082 0.82 KMT2A (0.47) KMT2AL3MBTL1XIAP
SCHEMBL24452714 0.82 KMT2A (0.44) NTSR2NTSR1SORT1KMT2AL3MBTL1

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-116102616-A Ginkgo-derived alpha-glucosidase inhibitory peptide and rapid screening method thereof 中国林业科学研究院林产化学工业研究所 2023-05-12 — — CN claimed
CN-116102616-A Ginkgo-derived alpha-glucosidase inhibitory peptide and rapid screening method thereof 中国林业科学研究院林产化学工业研究所 2023-05-12 — — CN disclosed
CN-116102616-A Ginkgo-derived alpha-glucosidase inhibitory peptide and rapid screening method thereof 中国林业科学研究院林产化学工业研究所 2023-05-12 — — CN disclosed
Send feedback