SCHEMBL16631350

SCHEMBL16631350

CCC(C)P(=O)(O)OC(C)(C)C[C@H]1O[C@@H](c2c(Cn3cc(Cc4ccccc4)nn3)[nH]c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.33
TK1 P04183 1/20 0.33
KCNMA1 Q12791 1/20 0.32
FUT6 P51993 1/20 0.31
CYP19A1 P11511 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 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
SCHEMBL16631346 0.86
SCHEMBL16631476 0.81 TK2 (0.42) TK2TK1KCNMA1ADORA3ADORA1
SCHEMBL16631373 0.79
SCHEMBL18080086 0.79 P2RY2 (0.44) FUT6
SCHEMBL16631348 0.79 GGPS1 (0.31) CYP19A1
SCHEMBL16631280 0.74 ADORA3 (0.41) TK2TK1KCNMA1CYP19A1ADORA3
SCHEMBL16631859 0.74 GLA (0.33) TK2TK1
SCHEMBL18080069 0.73 P2RY2 (0.44) FUT6
SCHEMBL16631473 0.72 ADORA3 (0.35) ADORA3ADORA1
SCHEMBL18080078 0.71 P2RY2 (0.44)

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed