SCHEMBL7993075

SCHEMBL7993075

Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](C(O)C(=O)OCOCc3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.62
TK1 P04183 6/20 0.46
TK2 O00142 1/20 0.42
TERT O14746 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA5B Q9Y2D0 2/20 0.40

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
SCHEMBL7996664 0.84 RNASE1 (0.73) RNASE1TK1TK2
SCHEMBL9393168 0.80 RNASE1 (0.56) RNASE1TK1TK2TERTCA12
SCHEMBL7994005 0.78 RNASE1 (0.66) RNASE1TK1TK2
SCHEMBL13273339 0.77 RNASE1 (0.82) RNASE1TK1TK2
SCHEMBL21886791 0.77 RNASE1 (0.82) RNASE1TK1TK2
SCHEMBL22992340 0.77 RNASE1 (0.82) RNASE1TK1TK2
SCHEMBL9324478 0.77 RNASE1 (0.82) RNASE1TK1TK2
SCHEMBL9326675 0.77 RNASE1 (0.82) RNASE1TK1TK2
SCHEMBL30976654 0.77 RNASE1 (0.82) RNASE1TK1TK2
SCHEMBL10664373 0.77 RNASE1 (0.82) RNASE1TK1TK2

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-6320040-B1 PREPARING NOVEL NUCLEOSIDE OLIGOMERS BEARING PENDANT CONJUGATE GROUPS FOR INCORPORATION INTO NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2001-11-20 US disclosed