SCHEMBL13869231

SCHEMBL13869231

COC(=O)CCC(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.69
MARS1 P56192 1/20 0.65
P2RY1 P47900 4/20 0.65
P2RY2 P41231 3/20 0.65
ADORA1 P30542 2/20 0.65
SRC P12931 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
DNPH1 O43598 1/20 0.65
PRKAB2 O43741 1/20 0.65
TRPM2 O94759 1/20 0.65
LDHA P00338 1/20 0.65
ADRB2 P07550 1/20 0.65
FBP1 P09467 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PDE3A Q14432 1/20 0.65
TAS1R3 Q7RTX0 1/20 0.65

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
SCHEMBL1066705 0.92 PRKACA (0.66) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL14178285 0.91 PLA2G2A (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL2790606 0.91 PLA2G2A (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL10586454 0.91 PRKACA (0.67) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL15297005 0.91 PLA2G2A (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL6536155 0.91 PRKACA (0.67) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL16945765 0.91 PLA2G2A (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL15538484 0.90 PRKACA (0.66) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL13238892 0.90 AURKA (0.64) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL10585105 0.90 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1

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
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed