SCHEMBL29740322

SCHEMBL29740322

CCC(C)CCCCCCCCC1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.49
▸ KRAS P01116 2/20 0.47
▸ HDAC4 P56524 2/20 0.46
▸ OXTR P30559 1/20 0.46
▸ GRB2 P62993 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ELANE P08246 4/20 0.44
▸ CIB1 Q99828 1/20 0.44
▸ NTSR1 P30989 4/20 0.43
▸ ALB P02768 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43

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
SCHEMBL29884013 1.00 PLG (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL29773718 1.00 PLG (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL30928172 1.00 PLG (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL21303808 1.00 PLG (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL29773738 0.97 PLG (0.52) PLGKRASHDAC4OXTRHDAC3
SCHEMBL22725808 0.97 KRAS (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL30038886 0.95 PLG (0.49) PLGKRASHDAC4OXTRHDAC3
SCHEMBL29773704 0.94 KRAS (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL29773696 0.94 KRAS (0.49) PLGKRASHDAC4OXTRGRB2
SCHEMBL29390495 0.94 KRAS (0.49) PLGKRASHDAC4OXTRGRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114774497-B Method for preparing lipopeptide antibiotic iturin A by using capsicum stalks 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-02-09 — — CN claimed
CN-114774497-B Method for preparing lipopeptide antibiotic iturin A by using capsicum stalks 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-02-09 — — CN disclosed
CN-117187322-A Method for preparing lipopeptid based on plate counter culture 广东省科学院生物与医学工程研究所 2023-12-08 — — CN disclosed
US-20230136991-A1 ITURIN FAMILY LIPOPEPTIDES IN PEST CONTROL INSTITUTE OF BIOLOGY, HEBEI ACADEMY OF SCIENCES (CN) 2023-05-04 — — US disclosed
CN-114774497-A Method for preparing lipopeptide antibiotic iturin A by using pepper straws 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2022-07-22 — — CN disclosed
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