SCHEMBL7975895

SCHEMBL7975895

CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)n(COCc3ccccc3)c2=O)O[C@@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.50
POLB P06746 1/20 0.39
TK1 P04183 3/20 0.39
TK2 O00142 3/20 0.39
PDE4D Q08499 2/20 0.36
BCHE P06276 1/20 0.35
CA12 O43570 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL6363668 0.89 RNASE1 (0.45) RNASE1POLBTK1TK2PDE4D
SCHEMBL7788368 0.86 PDE4D (0.45) RNASE1TK1TK2PDE4D
SCHEMBL9702755 0.82 RNASE1 (0.48) RNASE1TK1TK2PDE4D
SCHEMBL9396525 0.81 RNASE1 (0.50) RNASE1POLBTK1BCHE
SCHEMBL6358753 0.80 TK1 (0.36) RNASE1TK1TK2PDE4D
SCHEMBL5977733 0.77 SLC29A1 (0.44)
SCHEMBL4660487 0.77 SLC29A1 (0.44)
SCHEMBL6363661 0.75 ALDH1A1 (0.34) RNASE1TK1TK2
SCHEMBL6362720 0.74 TOP2A (0.34) RNASE1TK1TK2
SCHEMBL9396372 0.74 RNASE1 (0.42) RNASE1POLBBCHE

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-6277982-B1 REACTING CARBOHYDRATE, OLIGONUCLEOTIDE, NUCLEOTIDE OR NUCLEOSIDE WITH CYCLIC SULFATE; PRODUCTION OF OLIGONUCLEOTIDES WITH IMPROVED HYBRIDIZATION AFFINITY AND NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2001-08-21 US disclosed