SCHEMBL7699861

SCHEMBL7699861

CC(=O)OC[C@@H]1C2OC[C@@H](O[C@@H]1n1cc(C)c(=O)[nH]c1=O)[C@H]2OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.45
BCHE P06276 2/20 0.41
RNASE1 P07998 1/20 0.41
NT5M Q9NPB1 1/20 0.39
TYMP P19971 1/20 0.38
TK2 O00142 1/20 0.38

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
SCHEMBL7707747 0.87 TDP1 (0.40)
SCHEMBL6880850 0.78 TAS1R3 (0.49) BCHE
SCHEMBL5664254 0.77 TK1 (0.46) TK1BCHERNASE1TYMP
SCHEMBL6875722 0.75 TYMP (0.41) BCHETYMP
SCHEMBL5666253 0.70 RNASE1 (0.43) TK1BCHERNASE1TYMPTK2
SCHEMBL11981102 0.70 TK1 (0.44) TK1BCHERNASE1NT5MTYMP
SCHEMBL14946306 0.70 TK1 (0.44) TK1BCHERNASE1NT5MTYMP
SCHEMBL21332204 0.70 TK1 (0.42) TK1BCHERNASE1NT5MTYMP
SCHEMBL2770785 0.70 TK1 (0.46) TK1RNASE1TYMPTK2
SCHEMBL2770788 0.70 TK1 (0.46) TK1RNASE1TYMPTK2

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-6403566-B1 CONFORMATIONALLY LOCKED; ANTIVIRAL, ANTICANCER, STABILITY TO CELLULAR NUCLEASES AND STRONG BINDING AFFINITY TO NUCLEIC ACID TARGETS. ICN PHARMACEUTICALS, INC. 2002-06-11 US disclosed