SCHEMBL9943995

SCHEMBL9943995

COP(=O)(O[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)O[P](=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 11/20 0.51
P2RY14 Q15391 7/20 0.51
P2RY4 P51582 6/20 0.51
P2RY6 Q15077 9/20 0.49
SLC28A1 O00337 1/20 0.48
SLC28A2 O43868 1/20 0.48
SLC29A1 Q99808 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.48

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
SCHEMBL2056840 0.87 P2RY2 (0.61) P2RY2P2RY14P2RY4P2RY6
SCHEMBL18841401 0.81 P2RY2 (0.63) P2RY2P2RY14P2RY4P2RY6SLC28A1
SCHEMBL26486106 0.79 P2RY14 (0.75) P2RY2P2RY14P2RY4P2RY6
SCHEMBL901383 0.75 P2RY2 (0.76) P2RY2P2RY14P2RY4P2RY6
SCHEMBL9943994 0.74 P2RY6 (0.79) P2RY2P2RY14P2RY4P2RY6
SCHEMBL12660931 0.74 P2RY2 (0.72) P2RY2P2RY14P2RY4P2RY6
SCHEMBL28651565 0.74 P2RY2 (0.56) P2RY2P2RY14P2RY4P2RY6
SCHEMBL28640858 0.74 P2RY14 (0.54) P2RY2P2RY14P2RY4P2RY6
SCHEMBL12636149 0.73 P2RY2 (0.75) P2RY2P2RY14P2RY4P2RY6
SCHEMBL336760 0.72 SLC28A1 (0.69) P2RY2P2RY14P2RY4P2RY6SLC28A1

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-2464337-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-20 EP disclosed