SCHEMBL21098346

SCHEMBL21098346

CCNC(CCC(=O)N[C@H](CCCO[PH](=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
FOLH1 Q04609 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT3 Q9NTG7 1/20 0.38
CAPN1 P07384 1/20 0.38
CAPN2 P17655 1/20 0.38
TACR1 P25103 1/20 0.37
POLB P06746 1/20 0.36
MBTPS1 Q14703 1/20 0.36

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
SCHEMBL21098345 0.86 ACE (0.48) ACEBCHEACHECTSLCTSS
SCHEMBL16478624 0.81 BCHE (0.48) BCHEACHECTSLCTSSSIRT2
SCHEMBL21098326 0.79 CTSK (0.48) CTSS
SCHEMBL24799782 0.79 CTSK (0.48) CTSS
SCHEMBL16478619 0.77 BCHE (0.48) ACEBCHEACHECTSS
SCHEMBL17949814 0.77 BCHE (0.48) ACEBCHEACHECTSS
SCHEMBL17489335 0.75 CTSK (0.54) BCHEACHECTSLCTSS
SCHEMBL2137146 0.73 CTSK (0.51) CTSLCTSSMEN1ALDH1A1HPGD
SCHEMBL2137853 0.73 CTSK (0.51) CTSLCTSSMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2137140 0.72 CTSK (0.50) CTSLCTSSMEN1ALDH1A1HPGD

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