SCHEMBL30487490

SCHEMBL30487490

CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.54
MAPK1 P28482 1/20 0.45
CTRC Q99895 2/20 0.45
REN P00797 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL30487483 0.93 CMA1 (0.64) CMA1CTRCALDH1A1CYP3A4
SCHEMBL30487473 0.91 CMA1 (0.58) CMA1MAPK1CTRCRENACE
SCHEMBL30487446 0.90 CMA1 (0.52) CMA1MAPK1RENALDH1A1CYP3A4
SCHEMBL30499334 0.90 CMA1 (0.52) CMA1MAPK1CTRCRENALDH1A1
SCHEMBL30487470 0.88 KMT2A (0.55) CMA1MAPK1ALDH1A1CYP3A4
SCHEMBL30487487 0.86 KMT2A (0.56) CMA1MAPK1
SCHEMBL30487411 0.85 CMA1 (0.59) CMA1CTRCRENACE
SCHEMBL9700520 0.85 CMA1 (0.58) CMA1MAPK1CTRCRENACE
SCHEMBL9700519 0.85 CMA1 (0.58) CMA1MAPK1CTRCRENACE
SCHEMBL30487468 0.85 CMA1 (0.52) CMA1MAPK1RENACE

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 6 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-116655732-A Tetrapeptide compound TP-2, preparation method and application 兰州大学 2023-08-29 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
CN-109517032-B Tetrapeptide compound and preparation method and application thereof 兰州大学 2023-07-28 CN disclosed