SCHEMBL30487446

SCHEMBL30487446

CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.52
CYP3A4 P08684 6/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.45
REN P00797 1/20 0.44

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
SCHEMBL30487465 0.91 CMA1 (0.52) CMA1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL30487490 0.90 CMA1 (0.54) CMA1CYP3A4ALDH1A1MAPK1REN
SCHEMBL30487473 0.90 CMA1 (0.58) CMA1MAPK1REN
SCHEMBL30487483 0.90 CMA1 (0.64) CMA1CYP3A4ALDH1A1
SCHEMBL30499334 0.89 CMA1 (0.52) CMA1CYP3A4ALDH1A1MAPK1REN
SCHEMBL30487470 0.88 KMT2A (0.55) CMA1CYP3A4ALDH1A1MAPK1
SCHEMBL30487411 0.85 CMA1 (0.59) CMA1REN
SCHEMBL9700519 0.84 CMA1 (0.58) CMA1MAPK1REN
SCHEMBL9700520 0.84 CMA1 (0.58) CMA1MAPK1REN
SCHEMBL30487468 0.84 CMA1 (0.52) CMA1MAPK1REN

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