SCHEMBL13238892

SCHEMBL13238892

CC(C)(C)OC(=O)CCC(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.64
PRKACA P17612 2/20 0.63
MARS1 P56192 1/20 0.62
ADORA1 P30542 4/20 0.62
P2RY1 P47900 4/20 0.62
P2RY2 P41231 3/20 0.62
SRC P12931 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
DNPH1 O43598 1/20 0.62
PRKAB2 O43741 1/20 0.62
TRPM2 O94759 1/20 0.62
LDHA P00338 1/20 0.62
ADRB2 P07550 1/20 0.62
FBP1 P09467 1/20 0.62
PRKAG1 P54619 1/20 0.62
PRKAA2 P54646 1/20 0.62
PDE4D Q08499 1/20 0.62
KCNH2 Q12809 1/20 0.62
PRKAA1 Q13131 1/20 0.62
PDE3A Q14432 1/20 0.62

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
SCHEMBL13345756 0.90 PRKACA (0.64) AURKAPRKACAMARS1ADORA1P2RY1
SCHEMBL13869231 0.90 PRKACA (0.69) AURKAPRKACAMARS1ADORA1P2RY1
SCHEMBL1066705 0.90 PRKACA (0.66) AURKAPRKACAMARS1ADORA1P2RY1
SCHEMBL10586454 0.89 PRKACA (0.67) PRKACAMARS1ADORA1P2RY1P2RY2
SCHEMBL15297005 0.89 PLA2G2A (0.68) PRKACAMARS1ADORA1P2RY1P2RY2
SCHEMBL14178285 0.89 PLA2G2A (0.68) PRKACAMARS1ADORA1P2RY1P2RY2
SCHEMBL6536155 0.89 PRKACA (0.67) PRKACAMARS1ADORA1P2RY1P2RY2
SCHEMBL2790606 0.89 PLA2G2A (0.68) PRKACAMARS1ADORA1P2RY1P2RY2
SCHEMBL16945765 0.89 PLA2G2A (0.68) PRKACAMARS1ADORA1P2RY1P2RY2
SCHEMBL15538484 0.88 PRKACA (0.66) PRKACAMARS1ADORA1P2RY1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180111-B2 Reduction in complement activation and inflammation during tissue injury by carotenoids, carotenoid analogs, or derivatives thereof CARDAX PHARMA, INC. (US) 2015-11-10 US disclosed
US-9180111-B2 Reduction in complement activation and inflammation during tissue injury by carotenoids, carotenoid analogs, or derivatives thereof CARDAX PHARMA, INC. (US) 2015-11-10 US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-7723327-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of liver disease CARDAX PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-7691901-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of inflammation CARDAX PHARMACEUTICALS INC. (US) 2010-04-06 US disclosed
US-7691901-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of inflammation CARDAX PHARMACEUTICALS INC. (US) 2010-04-06 US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7592449-B2 Structural carotenoid analogs for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-09-22 US disclosed
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7375133-B2 Pharmaceutical compositions including carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375133-B2 Pharmaceutical compositions including carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7345091-B2 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7345091-B2 Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7317008-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMACEUTICALS, INC. (US) 2008-01-08 US disclosed
US-7317008-B2 Carotenoid ester analogs or derivatives for the inhibition and amelioration of ischemic reperfusion injury CARDAX PHARMACEUTICALS, INC. (US) 2008-01-08 US disclosed