SCHEMBL21783309

SCHEMBL21783309

CC(C)(C)OC(=O)N([C@H]1CC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
KLK7 P49862 6/20 0.37
KLK5 Q9Y337 4/20 0.37
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
CDC25A P30304 2/20 0.34
CDC25B P30305 2/20 0.34
HSD11B1 P28845 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL21783251 0.75 BCHE (0.44) BCHEACHEPDPK1MTORPDE4D
SCHEMBL22729197 0.72 BCHE (0.39) BCHEACHEKLK7KLK5PDE4D
SCHEMBL21783181 0.71 BCHE (0.46) BCHEACHEPDPK1MTORPDE4D
SCHEMBL21783194 0.70 BCHE (0.52) BCHEACHEPDPK1MTORPDE4D
SCHEMBL30001622 0.70 KLK5 (0.45) L3MBTL1BCHEACHEKLK7KLK5
SCHEMBL23181294 0.69 HDAC3 (0.38) NPSR1L3MBTL1HSD11B1
SCHEMBL21783307 0.69 BCHE (0.46) BCHEACHEPDPK1MTORPDE4D
SCHEMBL22756279 0.68 KMT2A (0.52) L3MBTL1KLK7KLK5PTPN2PTPN1
SCHEMBL22729198 0.68 KMT2A (0.52) L3MBTL1KLK7KLK5PTPN2PTPN1
SCHEMBL6409534 0.68 L3MBTL1 (0.43) L3MBTL1KLK7KLK5

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
WO-2020046132-A1 PHARMACOLOGICAL CHAPERONES FOR ENZYME TREATMENT THERAPY LEIDEN UNIVERSITY (NL) 2020-03-05 WO disclosed