SCHEMBL21783307

SCHEMBL21783307

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
ATM Q13315 1/20 0.41
PDE4D Q08499 1/20 0.38
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
AGTR2 P50052 3/20 0.37
EPHX2 P34913 2/20 0.37
TACR2 P21452 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
NT5E P21589 1/20 0.35

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
SCHEMBL21783252 0.84 BCHE (0.44) BCHEACHEATMPDE4DPDPK1
SCHEMBL21783194 0.80 BCHE (0.52) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL14697149 0.80 BCHE (0.41) BCHEACHEATMPDE4DPDPK1
SCHEMBL22729198 0.77 KMT2A (0.52) EPHX2KMT2A
SCHEMBL22756279 0.77 KMT2A (0.52) EPHX2KMT2A
SCHEMBL6290185 0.75 LMNA (0.43) BCHEACHEAGTR2EPHX2ALDH1A1
SCHEMBL2633999 0.75 EPHX2 (0.51) PDPK1MTORAGTR2EPHX2ALDH1A1
SCHEMBL2634094 0.75 EPHX2 (0.51) PDPK1MTORAGTR2EPHX2ALDH1A1
SCHEMBL21783250 0.75 BCHE (0.47) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783181 0.74 BCHE (0.46) BCHEACHEPDE4DPDPK1MTOR

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