SCHEMBL30499334

SCHEMBL30499334

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 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.52
CTSL P07711 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
MAPK1 P28482 2/20 0.44
REN P00797 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
TACR1 P25103 1/20 0.44
ACE P12821 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTRC Q99895 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
SCHEMBL30487468 0.93 CMA1 (0.52) CMA1MAPK1RENACE
SCHEMBL30487483 0.90 CMA1 (0.64) CMA1ALDH1A1CYP3A4CTRC
SCHEMBL30487490 0.90 CMA1 (0.54) CMA1MAPK1RENALDH1A1CYP3A4
SCHEMBL30487473 0.90 CMA1 (0.58) CMA1MAPK1RENACECTRC
SCHEMBL30487446 0.89 CMA1 (0.52) CMA1MAPK1RENALDH1A1CYP3A4
SCHEMBL30487470 0.87 KMT2A (0.55) CMA1MAPK1ALDH1A1CYP3A4MEN1
SCHEMBL30487479 0.87 KMT2A (0.54) CMA1ITGB3ITGA2BMAPK1POLB
SCHEMBL30487411 0.84 CMA1 (0.59) CMA1RENACECTRC
SCHEMBL9700520 0.84 CMA1 (0.58) CMA1MAPK1RENACECTRC
SCHEMBL9700519 0.84 CMA1 (0.58) CMA1MAPK1RENACECTRC

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

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