SCHEMBL6441472

SCHEMBL6441472

CC(=O)CC(N)(C(C)=O)C(N)(C(C)=O)C(C)=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20389 0.71 LMNA (0.43) TDP1
SCHEMBL27722359 0.70
Hydrogen Peroxide SCHEMBL305245 0.68 FFAR3 (0.43) ALDH1A1TDP1
Water SCHEMBL8069681 0.68 LMNA (0.40) TDP1
SCHEMBL545841 0.68 LMNA (0.40) TDP1
SCHEMBL690783 0.67
SCHEMBL3640659 0.67 ALDH1A1 (0.37) ALDH1A1TDP1
Ethylenediamine SCHEMBL20657069 0.67 PAOX (0.36) ALDH1A1TDP1
SCHEMBL15834500 0.65
SCHEMBL27712791 0.65

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-1269844-B1 Method for disinfecting and/or sterilising a dental unit CASTELLINI SPA (IT) 2005-08-31 EP claimed