SCHEMBL13932012

SCHEMBL13932012

CO[C@@H]1CCC(n2cc(C)c(=O)[nH]c2=O)O1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.63
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
POLB P06746 1/20 0.48
ADRA1A P35348 1/20 0.48
BLM P54132 1/20 0.48
DHFR P00374 1/20 0.47

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
SCHEMBL8711260 1.00 TK1 (0.63) TK1ALDH1A1LMNAALBPOLB
SCHEMBL21473346 0.83 TK1 (0.57) TK1POLB
SCHEMBL8897744 0.82 TK1 (0.53) TK1POLB
SCHEMBL2092764 0.81 TK1 (0.55) TK1POLB
SCHEMBL291317 0.81 TK1 (0.55) TK1POLB
SCHEMBL78118 0.81 TK1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL19242604 0.81 TK1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL2011590 0.81 BCHE (0.56) TK1LMNAALBBLM
SCHEMBL16127042 0.81 BCHE (0.56) TK1LMNAALBBLM
SCHEMBL8711473 0.80 TK1 (0.54) TK1POLB

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
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed