E626

E626

SCHEMBL15670751

CC(C)C[C@H](N)C(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.Oc1ccco1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.60
IMPDH2 P12268 7/20 0.56
IMPDH1 P20839 2/20 0.56
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
TGM2 P21980 1/20 0.55
HINT1 P49773 2/20 0.53
KRAS P01116 4/20 0.53
GSK3A P49840 1/20 0.52
RPS6KA3 P51812 1/20 0.52
MAPK14 Q16539 1/20 0.52
FUT5 Q11128 1/20 0.52

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
E626 SCHEMBL15670776 0.93 NT5E (0.60) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670935 0.93 NT5E (0.59) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670525 0.93 NT5E (0.61) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670778 0.93 NT5E (0.61) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15671169 0.92 NT5E (0.62) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670854 0.92 NT5E (0.60) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670857 0.91 NT5E (0.59) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670594 0.91 NT5E (0.58) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670593 0.91 NT5E (0.58) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
E626 SCHEMBL15670267 0.90 NT5E (0.56) NT5EIMPDH2IMPDH1TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914131-A1 FLAVOUR ADDITIVES Mars, Incorporated (US) 2015-09-09 EP disclosed
WO-2014068044-A1 FLAVOUR ADDITIVES MARS, INCORPORATED (US) 2014-05-08 WO disclosed