SCHEMBL8724659

SCHEMBL8724659

CC(=O)OC1O[C@H](C(=O)OCc2ccccc2)[C@@H](OCl)[C@H](OCl)[C@H]1OCl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ELANE P08246 3/20 0.40
LMNA P02545 2/20 0.40
CAPN1 P07384 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
LGALS8 O00214 1/20 0.38
TSHR P16473 3/20 0.37
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL14353134 0.83 BCHE (0.39) ALDH1A1LMNACAPN1LGALS8
SCHEMBL22073048 0.79 LGALS8 (0.45) ALDH1A1ELANELMNACAPN1FABP7
SCHEMBL24603586 0.78 ALDH1A1 (0.40) ALDH1A1ELANELMNAFABP7FABP5
SCHEMBL2028686 0.78 ALDH1A1 (0.40) ALDH1A1ELANELMNAFABP7FABP5
SCHEMBL30838590 0.77 ALDH1A1 (0.49) ALDH1A1ELANELMNAFABP7FABP5
SCHEMBL17085402 0.75 ALDH1A1 (0.41) ALDH1A1ELANEFABP7FABP5LGALS8
SCHEMBL22108020 0.75 LGALS8 (0.45) ALDH1A1LMNAFABP7FABP5LGALS8
SCHEMBL22108027 0.75 LGALS8 (0.45) ALDH1A1LMNAFABP7FABP5LGALS8
SCHEMBL29477375 0.75 LGALS8 (0.45) ALDH1A1LMNAFABP7FABP5LGALS8
SCHEMBL10309796 0.74 ALDH1A1 (0.39) ALDH1A1ELANELMNAFABP7FABP5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423747-B1 Glycosyl-etoposide prodrugs, process for their preparation and their use in combination with functionalised tumour-specific enzyme conjugates BEHRINGWERKE AG (DE) 1998-07-22 EP disclosed
EP-0423747-A2 Glycosyl-etoposide prodrugs, process for their preparation and their use in combination with functionalised tumour-specific enzyme conjugates BEHRINGWERKE Aktiengesellschaft (DE) 1991-04-24 EP disclosed