E626

E626

SCHEMBL15670356

NC(Cc1c[nH]c2ccccc12)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 11)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.60
NT5E P21589 1/20 0.53
IMPDH2 P12268 6/20 0.52
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TGM2 P21980 1/20 0.50
GSK3A P49840 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MAPK14 Q16539 1/20 0.49
IMPDH1 P20839 1/20 0.49
FUT6 P51993 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
E626 SCHEMBL15670781 0.94 HINT1 (0.66) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL5365314 0.94 HINT1 (0.66) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL15670594 0.90 NT5E (0.58) HINT1NT5EIMPDH2TAS1R3TAS1R1
Adenosine Phosphate SCHEMBL15670433 0.89 P2RY1 (0.58) NT5ETAS1R3TAS1R1
E626 SCHEMBL15670525 0.87 NT5E (0.61) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL15670778 0.87 NT5E (0.61) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL15671362 0.87 NT5E (0.57) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL15670776 0.87 NT5E (0.60) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL15670935 0.86 NT5E (0.59) HINT1NT5EIMPDH2TAS1R3TAS1R1
E626 SCHEMBL15670857 0.86 NT5E (0.59) HINT1NT5EIMPDH2TAS1R3TAS1R1

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