SCHEMBL16631859

SCHEMBL16631859

CCC(C)P(=O)(O)OC(C)C[C@H]1O[C@@H](c2c(Cc3cn(-c4ccccc4)nn3)[nH]c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
PIN1 Q13526 1/20 0.31
TK2 O00142 1/20 0.31
TK1 P04183 1/20 0.31
CD74 P04233 1/20 0.31
MIF P14174 1/20 0.31
NPC1 O15118 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
SCHEMBL16631298 0.83
SCHEMBL16631278 0.80 CA1 (0.42)
SCHEMBL18080113 0.79 P2RY2 (0.45)
SCHEMBL16631350 0.74 TK2 (0.33) TK2TK1
SCHEMBL16631260 0.70 LGALS3 (0.38) TK2TK1
SCHEMBL16631346 0.69
SCHEMBL18080109 0.69 P2RY2 (0.44)
SCHEMBL16631276 0.69 SLC5A2 (0.35)
SCHEMBL16631410 0.68 SLC5A2 (0.36) TK2TK1
SCHEMBL18080107 0.68 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