SCHEMBL5544571

SCHEMBL5544571

O=C(O)Nc1cnc(C2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UMPS P11172 1/20 0.45
FBP1 P09467 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ATIC P31939 2/20 0.40
PYGL P06737 1/20 0.40
P2RY12 Q9H244 1/20 0.40
IMPDH2 P12268 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
DNPH1 O43598 1/20 0.38
EIF4E P06730 1/20 0.38
P2RY2 P41231 1/20 0.38
P2RY4 P51582 1/20 0.38

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
SCHEMBL187957 0.81 FBP1 (0.50) UMPSFBP1TAS1R3TAS1R1ATIC
SCHEMBL3497312 0.76 PYGL (0.34) PYGL
SCHEMBL4359388 0.73 FBP1 (0.53) UMPSFBP1TAS1R3TAS1R1ATIC
SCHEMBL1063228 0.71 UMPS (0.49) UMPSFBP1TAS1R3TAS1R1ATIC
SCHEMBL15008514 0.69 UMPS (0.54) UMPSFBP1TAS1R3TAS1R1ATIC
SCHEMBL5547964 0.69 UMPS (0.54) UMPSFBP1TAS1R3TAS1R1ATIC
SCHEMBL11281748 0.68 FBP1 (0.43) UMPSFBP1TAS1R3TAS1R1IMPDH2
SCHEMBL27789884 0.68 FBP1 (0.51) UMPSFBP1TAS1R3TAS1R1ATIC
SCHEMBL2936680 0.67 ATIC (0.54) FBP1TAS1R3TAS1R1ATICP2RY12
SCHEMBL31338629 0.67 ATIC (0.53) UMPSFBP1TAS1R3TAS1R1ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490678-A4 COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM GENOMATICA INC (US) 2007-01-03 EP disclosed
EP-1490678-A2 COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM Genomatica, Inc. (US) 2004-12-29 EP disclosed
WO-2003081207-A2 COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM GENOMATICA, INC. (US) 2003-10-02 WO disclosed