SCHEMBL4455104

SCHEMBL4455104

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C(SC)[C@@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.47
P2RY14 Q15391 2/20 0.47
NT5E P21589 1/20 0.47
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
POLB P06746 1/20 0.40
ADORA3 P0DMS8 2/20 0.37
ST6GAL1 P15907 1/20 0.36
P2RY2 P41231 4/20 0.35
P2RY4 P51582 3/20 0.35
NPC1 O15118 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
F2 P00734 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
SCHEMBL7245844 1.00 P2RY6 (0.47) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL2114901 0.93 P2RY6 (0.51) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7919968 0.89 P2RY6 (0.48) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL441119 0.86 P2RY6 (0.42) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL2114899 0.84 P2RY6 (0.49) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7523510 0.84 P2RY6 (0.49) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7922091 0.84 P2RY6 (0.45) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL332975 0.82 POLB (0.51) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7533550 0.82 POLB (0.51) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL2116345 0.82 P2RY6 (0.47) P2RY6P2RY14NT5EABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198047-A1 2'-Modified Oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-20080032945-A1 2'-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-7138517-B2 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
EP-0549615-B1 SUGAR MODIFIED OLIGONUCLEOTIDES THAT DETECT AND MODULATE GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2006-02-22 EP disclosed
EP-1443051-A2 Sugar modified oligonucleotides that detect and modulate gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030187240-A1 2' -modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-10-02 US disclosed
US-6531584-B1 Nuclease resistant oligonucleotide analogs; DNA or RNA modulation; diagnosis, thearpy of viral diseases ISIS PHARMACEUTICALS, INC. 2003-03-11 US disclosed
US-20030004325-A1 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-6399754-B1 CONTAINING SULFOPHOSPHATE GROUP ISIS PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-6307040-B1 MIXED SEQUENCE OLIGONUCLEOTIDE HAVING AT LEAST ONE MODIFIED 2'-DEOXYFURANOSYL MOIETY MODIFIED BY SUBSTITUTION WITH HALO, AZIDO, AMINO, SUBSTITUTED AMINO, HALOMETHYL, CYANATO, HALOALKOXYL, ALKYL SULFIDE OR SULFONATE, NITRATE OR NITRITE ISIS PHARMACEUTICALS, INC. 2001-10-23 US disclosed