SCHEMBL30698170

SCHEMBL30698170

Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3cc(I)c(=O)[nH]c3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.61
TK1 P04183 4/20 0.49
TYMS P04818 1/20 0.47
BCHE P06276 2/20 0.44
UPP1 Q16831 1/20 0.43
TERT O14746 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
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
SCHEMBL6542150 1.00 RNASE1 (0.61) RNASE1TK1TYMSBCHEUPP1
SCHEMBL13273272 0.91 RNASE1 (0.65) RNASE1TK1TYMSBCHEUPP1
SCHEMBL7653783 0.91 RNASE1 (0.65) RNASE1TK1TYMSBCHEUPP1
SCHEMBL6842685 0.91 RNASE1 (0.65) RNASE1TK1TYMSBCHEUPP1
SCHEMBL2632480 0.91 RNASE1 (0.65) RNASE1TK1TYMSBCHEUPP1
SCHEMBL2623807 0.91 RNASE1 (0.65) RNASE1TK1TYMSBCHEUPP1
SCHEMBL9333418 0.88 TK1 (0.50) RNASE1TK1TYMSBCHETERT
SCHEMBL9333421 0.88 TK1 (0.50) RNASE1TK1TYMSBCHETERT
SCHEMBL11054269 0.88 RNASE1 (0.57) RNASE1TK1TYMSUPP1TERT
SCHEMBL9811642 0.88 RNASE1 (0.59) RNASE1TK1TYMSUPP1TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540260-A1 FLEX-NUCLEOSIDE ANALOGUES, NOVEL THERAPEUTICS AGAINST VIRUSES University of Maryland, Baltimore County (US) 2025-04-23 EP disclosed
WO-2023245040-A1 FLEX-NUCLEOSIDE ANALOGUES, NOVEL THERAPEUTICS AGAINST VIRUSES UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2023-12-21 WO disclosed