SCHEMBL4074748

SCHEMBL4074748

COc1ccc(C(OC[C@]23CO[C@H]([C@H](n4ccc(=O)[nH]c4=O)O2)[C@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.38
P2RY14 Q15391 2/20 0.38
TYMP P19971 1/20 0.38
NT5E P21589 1/20 0.37
DUT P33316 5/20 0.37
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
P2RY2 P41231 2/20 0.34
SLC28A1 O00337 1/20 0.34
SLC28A2 O43868 1/20 0.34
SLC29A1 Q99808 1/20 0.34
SLC28A3 Q9HAS3 1/20 0.34
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL1098282 1.00 P2RY6 (0.38) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL7096692 0.89 P2RY6 (0.41) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL12386210 0.89 P2RY6 (0.41) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL4075035 0.89 NT5E (0.40) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL24512779 0.87 TK2 (0.42)
SCHEMBL5557408 0.87 TK2 (0.42)
SCHEMBL5582060 0.87 TK2 (0.42)
SCHEMBL2769235 0.87 TK2 (0.42)
SCHEMBL4074993 0.87 DUT (0.34) P2RY6P2RY14TYMPNT5EDUT
SCHEMBL5878698 0.86 SLC6A11 (0.39) TYMPSLC6A1SLC6A11

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-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed