SCHEMBL30727547

SCHEMBL30727547

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CN=[N+]=[N-])C(=O)[C@](N)(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ KLK7 P49862 2/20 0.47
▸ KLK5 Q9Y337 2/20 0.47
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ FOLH1 Q04609 2/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL20529995 0.84 FOLH1 (0.52) MAPTKLK7KLK5FOLH1
SCHEMBL29521785 0.84 KLK7 (0.53) MAPTKLK7KLK5FOLH1ABCB1
SCHEMBL30727546 0.81 KLK7 (0.49) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL20530010 0.80 KLK7 (0.49) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL20529993 0.80 KLK7 (0.49) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL29931085 0.78 HTT (0.54) MAPTKLK7KLK5FOLH1ABCB1
SCHEMBL6511442 0.77 MAPT (0.52) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL12076369 0.77 MAPT (0.52) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL20364083 0.76 SYK (0.57) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL30290765 0.76 MAPT (0.60) MAPTKLK7KLK5ITGB3ITGA2B

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-117563022-A Trifunctional constructs with tunable pharmacokinetics for imaging and anti-tumor therapy 康奈尔大学 2024-02-20 — — CN disclosed
CN-110612126-B Trifunctional constructs with tunable pharmacokinetics for imaging and anti-tumor therapy 康奈尔大学 2023-11-03 — — CN disclosed
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