SCHEMBL21783181

SCHEMBL21783181

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
PDE4D Q08499 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
HCRTR2 O43614 1/20 0.35
PDPK1 O15530 1/20 0.35
MTOR P42345 1/20 0.35
KCNA5 P22460 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
GJB2 P29033 1/20 0.34
FGF1 P05230 2/20 0.33
FGF2 P09038 2/20 0.33

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
SCHEMBL15095289 0.84 LMNA (0.37) BCHEACHECA1CA2CA9
SCHEMBL21783194 0.80 BCHE (0.52) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL21783250 0.80 BCHE (0.47) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL5788946 0.79 CTSL (0.41) BCHEACHECA1CA2CA9
SCHEMBL22798652 0.79 BCHE (0.42) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL2647154 0.78 CTSL (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL428528 0.78 CTSL (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17443117 0.78 CTSL (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL782454 0.77 TAAR1 (0.34) BCHEACHELMNA
SCHEMBL782455 0.77 TAAR1 (0.34) BCHEACHELMNA

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