SCHEMBL30487479

SCHEMBL30487479

CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CMA1 P23946 11/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ELANE P08246 1/20 0.39
FKBP5 Q13451 1/20 0.39
NTSR2 O95665 1/20 0.39
NTSR1 P30989 1/20 0.39

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
SCHEMBL30487461 0.88 KMT2A (0.56) KMT2ACMA1POLBELANE
SCHEMBL30487487 0.88 KMT2A (0.56) KMT2ACMA1MAPK1POLBELANE
SCHEMBL30499334 0.87 CMA1 (0.52) KMT2ACMA1MAPK1POLBITGB3
SCHEMBL30487448 0.84 KMT2A (0.73) KMT2AMAPK1POLB
SCHEMBL30487465 0.83 CMA1 (0.52) KMT2ACMA1MAPK1ELANE
SCHEMBL30487462 0.83 MAPK1 (0.59) KMT2ACMA1MAPK1
SCHEMBL30626141 0.80 KMT2A (0.52) KMT2ANTSR2NTSR1
SCHEMBL30626142 0.80 KMT2A (0.52) KMT2ANTSR2NTSR1
SCHEMBL29493718 0.79 KMT2A (0.50) KMT2ANTSR2NTSR1
SCHEMBL29843721 0.78 KMT2A (0.53) KMT2ACMA1POLBELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836224-A Tetrapeptide compound TP-5, and preparation method and application thereof 兰州大学 2023-10-03 CN disclosed
CN-116574155-A Tetrapeptide compound TP-4, preparation method and application 兰州大学 2023-08-11 CN disclosed
CN-116535462-A Tetrapeptide compound TP-6, and preparation method and application thereof 兰州大学 2023-08-04 CN disclosed
CN-116535461-A Tetrapeptide compound TP-3, preparation method and application 兰州大学 2023-08-04 CN disclosed