SCHEMBL1862645

SCHEMBL1862645

OCN1CCC[C@@H]1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1869887 1.00 TDP1 (0.41) TDP1
SCHEMBL1881164 0.93 TDP1 (0.39) TDP1
SCHEMBL3711041 0.77 TDP1 (0.37) TDP1
SCHEMBL12616965 0.73 ALDH1A1 (0.35)
Acetic Acid SCHEMBL9551589 0.71 ALDH1A1 (0.39)
SCHEMBL12603802 0.70 CYP1A2 (0.31) TDP1
SCHEMBL2450920 0.69 SPHK2 (0.41)
SCHEMBL3697759 0.69
SCHEMBL28112798 0.67 HTR6 (0.38) TDP1
SCHEMBL14380083 0.67 CYP1A2 (0.45)

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-2323651-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS Summit Corporation Plc (GB) 2011-05-25 EP disclosed