SCHEMBL8091496

SCHEMBL8091496

CC(=O)OCC1CCC(n2cc(C)c(=O)[nH]c2=O)OC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.45
DHFR P00374 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL8091552 0.83 LMNA (0.51) TK1
SCHEMBL12969489 0.83 BCHE (0.52) TK1ABCG2ABCB1
SCHEMBL13948027 0.83 BCHE (0.52) TK1ABCG2ABCB1
SCHEMBL9819384 0.83 BCHE (0.52) TK1ABCG2ABCB1
SCHEMBL14580344 0.82 TK1 (0.49) TK1DHFRABCG2ABCB1
SCHEMBL22555932 0.78 DHFR (0.45) TK1DHFR
SCHEMBL22555933 0.78 DHFR (0.45) TK1DHFR
SCHEMBL15216188 0.76 POLB (0.64) TK1
SCHEMBL263767 0.76 POLB (0.64) TK1
SCHEMBL15499670 0.76 TK1 (0.56) TK1ABCG2ABCB1

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-6034087-A VIRICIDE AGAINST HEPATITIS B CHONG KUN DANG CORP. (KR) 2000-03-07 US disclosed