SCHEMBL21783251

SCHEMBL21783251

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
PDE4D Q08499 1/20 0.36
PDPK1 O15530 2/20 0.35
MTOR P42345 1/20 0.35
TACR1 P25103 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
AGTR2 P50052 1/20 0.33
ATM Q13315 1/20 0.33
OGA O60502 1/20 0.33
TACR2 P21452 1/20 0.32
GJB2 P29033 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL21783252 0.79 BCHE (0.44) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783194 0.77 BCHE (0.52) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783250 0.77 BCHE (0.47) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783309 0.75 NPSR1 (0.39) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783181 0.74 BCHE (0.46) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783307 0.74 BCHE (0.46) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL22729197 0.72 BCHE (0.39) BCHEACHEPDE4DTACR1PSEN1
SCHEMBL24437953 0.71 BCHE (0.50) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL14696978 0.70 BCHE (0.50) BCHEACHEPDE4DPDPK1MTOR
SCHEMBL21783270 0.70 BCHE (0.49) 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