SCHEMBL8042949

SCHEMBL8042949

CCCCCN[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@]1(O)O[PH](=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.35
TYMP P19971 1/20 0.34
DUT P33316 5/20 0.33
P2RY14 Q15391 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30

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
SCHEMBL6419737 0.81 TYMP (0.42) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL5978909 0.81 TYMP (0.42) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL4081760 0.79 NT5E (0.39) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL2472505 0.77 NT5E (0.41) NT5ETYMPDUTP2RY14P2RY2
SCHEMBL13837115 0.74 TYMP (0.45) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL6362952 0.74 NT5E (0.39) NT5ETYMPDUTP2RY14P2RY2
SCHEMBL8058513 0.73 NT5E (0.39) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL5977396 0.73 TYMP (0.47) TYMPP2RY14P2RY2P2RY4
SCHEMBL13575501 0.73 P2RY2 (0.54) NT5ETYMPDUTP2RY14CYP3A4
SCHEMBL5977841 0.72 TYMP (0.47) TYMPP2RY14P2RY2

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
EP-0497875-B1 2' MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2000-03-22 EP claimed