SCHEMBL21098345

SCHEMBL21098345

CC(C)(C)OC(=O)NC(CCC(=O)N[C@H](CCCO[PH](=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
KLK7 P49862 3/20 0.46
KLK5 Q9Y337 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CTSK P43235 2/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CTSS P25774 1/20 0.42
MAPT P10636 1/20 0.42
SYK P43405 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL24799782 0.94 CTSK (0.48) KLK7KLK5CTSKPPARAPPARG
SCHEMBL21098326 0.94 CTSK (0.48) KLK7KLK5CTSKPPARAPPARG
SCHEMBL17949814 0.89 BCHE (0.48) ACEKLK7KLK5BCHEACHE
SCHEMBL16478619 0.89 BCHE (0.48) ACEKLK7KLK5BCHEACHE
SCHEMBL17489335 0.89 CTSK (0.54) KLK7KLK5BCHEACHECTSK
SCHEMBL21098346 0.86 ACE (0.41) ACEBCHEACHECTSSCTSL
SCHEMBL17486773 0.85 CTSK (0.49) KLK7KLK5CTSKPPARAPPARG
SCHEMBL23475267 0.84 PPARA (0.52) ACEKLK7KLK5BCHEACHE
SCHEMBL16472134 0.84 ACE (0.50) ACEKLK7KLK5BCHEACHE
SCHEMBL24945913 0.83 ACE (0.55) ACEKLK7KLK5BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180438-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS Cancer Targeted Technology LLC (US) 2023-05-17 EP disclosed
EP-3560937-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS Cancer Targeted Technology LLC (US) 2019-10-30 EP disclosed
EP-2970345-B1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS CANCER TARGETED TECH LLC (US) 2019-06-19 EP disclosed