SCHEMBL30403286

SCHEMBL30403286

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
LTA4H P09960 1/20 0.49
CTSC P53634 2/20 0.46
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
PGGT1B P53609 4/20 0.43
REN P00797 1/20 0.43
TERT O14746 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
SCHEMBL30051870 0.91 KMT2A (0.56) KMT2AMEN1LTA4HCTSCREN
SCHEMBL30052055 0.87 KMT2A (0.54) KMT2AMEN1LTA4HCTSCREN
SCHEMBL29630395 0.87 CTSC (0.51) CTSCRENTERT
SCHEMBL30051605 0.87 MEN1 (0.67) KMT2AMEN1CTSCFNTAFNTB
SCHEMBL30487449 0.86 CTSC (0.57) CTSCTERT
SCHEMBL30052990 0.86 CTSC (0.57) CTSCTERT
SCHEMBL29630530 0.85 CTSC (0.51) LTA4HCTSCRENTERT
SCHEMBL29816574 0.85 KEAP1 (0.49) REN
SCHEMBL29824994 0.83 MAPK8 (0.47) CTSCREN
SCHEMBL29630612 0.82 CTSC (0.53) CTSCRENTERT

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-116082444-A Puffer fish swim bladder antihypertensive peptide and preparation method and application thereof 浙江海洋大学 2023-05-09 CN disclosed