SCHEMBL30633853

SCHEMBL30633853

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 13/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ REN P00797 1/20 0.47

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
SCHEMBL30633846 0.94 CMA1 (0.49) CMA1KMT2AF2PRSS1ITGB3
SCHEMBL30633861 0.89 SLC6A2 (0.47) —
SCHEMBL10800056 0.86 ITGB3 (0.63) CMA1KMT2AF2PRSS1ITGB3
Hydrochloric Acid SCHEMBL29445800 0.85 ELANE (0.46) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL30633862 0.85 DPP3 (0.51) —
SCHEMBL23039400 0.83 CMA1 (0.46) CMA1F2PRSS1REN
SCHEMBL23039402 0.83 CMA1 (0.46) CMA1F2PRSS1REN
SCHEMBL22962005 0.83 F2 (0.58) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL30633868 0.82 DPP8 (0.49) CMA1KMT2AF2
SCHEMBL15960070 0.82 PRCP (0.51) CMA1KMT2AF2PRSS1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003791-A Diphenylphosphinoyloxy bisphenol A compound and application thereof in preparation of whitening nonapeptide-1 西北工业大学 2023-11-07 — — CN disclosed
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