SCHEMBL30487462

SCHEMBL30487462

CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
CMA1 P23946 12/20 0.57
ACE P12821 1/20 0.55
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
PABPC1 P11940 1/20 0.52
KMT2A Q03164 1/20 0.52
REN P00797 1/20 0.51

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
SCHEMBL30487475 0.94 CMA1 (0.61) MAPK1CMA1ACEF2PRSS1
SCHEMBL30487473 0.92 CMA1 (0.58) MAPK1CMA1ACEF2PRSS1
SCHEMBL30487411 0.88 CMA1 (0.59) CMA1ACEF2PRSS1PABPC1
SCHEMBL30487465 0.88 CMA1 (0.52) MAPK1CMA1KMT2A
SCHEMBL30487468 0.85 CMA1 (0.52) MAPK1CMA1ACEF2PRSS1
SCHEMBL30487461 0.84 KMT2A (0.56) CMA1KMT2A
SCHEMBL30487487 0.84 KMT2A (0.56) MAPK1CMA1KMT2A
SCHEMBL30487494 0.84 CMA1 (0.54) MAPK1CMA1ACEPABPC1KMT2A
SCHEMBL30487479 0.83 KMT2A (0.54) MAPK1CMA1KMT2A
SCHEMBL31265724 0.82 OPRM1 (0.52) ACE

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