SCHEMBL22423213

SCHEMBL22423213

CC(=O)OC1C(OCc2ccccc2)[C@@H](OCc2ccccc2)CC(C)O[C@H]1OC(=N)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.36
LMNA P02545 1/20 0.35
BCHE P06276 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE4D Q08499 1/20 0.33
METAP2 P50579 2/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
ACHE P22303 1/20 0.33
ABCB1 P08183 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
SCHEMBL1034819 0.86 NT5E (0.37) NT5ELMNAALDH1A1CYP2D6MAPK1
SCHEMBL12757246 0.86 NT5E (0.37) NT5ELMNAALDH1A1CYP2D6MAPK1
SCHEMBL22423316 0.86 NT5E (0.37) NT5ELMNAALDH1A1CYP2D6MAPK1
SCHEMBL2485383 0.82 NT5E (0.53) NT5EBCHE
SCHEMBL7169887 0.82 NT5E (0.53) NT5EBCHE
SCHEMBL24672154 0.82 NT5E (0.53) NT5EBCHE
SCHEMBL21537642 0.82 NT5E (0.53) NT5EBCHE
SCHEMBL7170086 0.82 NT5E (0.53) NT5EBCHE
SCHEMBL14598383 0.82 NT5E (0.53) NT5EBCHE
SCHEMBL19731854 0.82 NT5E (0.53) NT5EBCHE

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
EP-3274358-B1 VACCINE AGAINST CARBAPENEM-RESISTANTKLEBSIELLA PNEUMONIAE MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS EV (DE) 2020-09-16 EP disclosed