SCHEMBL7516112

SCHEMBL7516112

CNC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 8/20 0.60
P2RY6 Q15077 8/20 0.58
P2RY2 P41231 9/20 0.55
P2RY4 P51582 5/20 0.55
SLC28A1 O00337 1/20 0.49
SLC28A2 O43868 1/20 0.49
SLC29A1 Q99808 1/20 0.49
SLC28A3 Q9HAS3 1/20 0.49

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
SCHEMBL25513479 0.87 P2RY14 (0.64) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL25513098 0.87 P2RY14 (0.64) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL25513101 0.86 P2RY14 (0.61) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL25512635 0.86 P2RY14 (0.61) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL28606406 0.86 P2RY14 (0.61) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL6028058 0.84 P2RY14 (0.69) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL17728069 0.84 P2RY14 (0.61) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL5964450 0.82 P2RY14 (0.61) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL28714767 0.81 P2RY14 (0.59) P2RY14P2RY6P2RY2P2RY4SLC28A1
SCHEMBL18269546 0.81 P2RY14 (0.64) P2RY14P2RY6P2RY2P2RY4SLC28A1

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
WO-2001023564-A9 SECRETED FACTORS SCIOS INC (US) 2002-10-03 WO disclosed