SCHEMBL9397478

SCHEMBL9397478

Cc1cn([C@H]2C[C@H](OC(=O)CCC(=O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.65
RNASE1 P07998 1/20 0.56
POLB P06746 2/20 0.55
TYMS P04818 1/20 0.54
POLA1 P09884 1/20 0.51
POLD1 P28340 1/20 0.51
SHBG P04278 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50

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
SCHEMBL19407973 0.88 RNASE1 (0.71) TK1RNASE1
SCHEMBL3337696 0.88 RNASE1 (0.71) TK1RNASE1
SCHEMBL2053943 0.88 TK1 (0.70) TK1RNASE1POLBTYMSPOLA1
Thymidine Monophosphate SCHEMBL9397483 0.87 POLB (0.72) TK1POLBTYMS
SCHEMBL21078821 0.85 TOP2A (0.57) TK1RNASE1
SCHEMBL7038209 0.85 TK1 (0.74) TK1POLBTYMSPOLA1POLD1
SCHEMBL21068055 0.85 TK1 (0.74) TK1POLBTYMSPOLA1POLD1
SCHEMBL288740 0.85 TK1 (0.74) TK1POLBTYMSPOLA1POLD1
SCHEMBL1445019 0.84 TK1 (0.74) TK1POLBTYMSPOLA1POLD1
SCHEMBL25875139 0.84 RNASE1 (0.55) TK1RNASE1ABCG2

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
WO-1994029242-A1 THE BIOREMEDIATION OF SOILS CONTAINING HYDROCARBON USING CALCIUM PEROXIDE FMC CORPORATION (US) 1994-12-22 WO disclosed