SCHEMBL7236374

SCHEMBL7236374

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.63
PRKACA P17612 2/20 0.63
RXFP1 Q9HBX9 1/20 0.61
AHCY P23526 1/20 0.58
MARS1 P56192 1/20 0.57
DNPH1 O43598 1/20 0.56
PRKAB2 O43741 1/20 0.56
TRPM2 O94759 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
SRC P12931 1/20 0.56
ADORA1 P30542 1/20 0.56
P2RY2 P41231 1/20 0.56
P2RY1 P47900 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA1 Q13131 1/20 0.56

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
SCHEMBL5561909 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL12800893 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL5375737 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL5364744 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL14696397 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10587414 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL1669299 0.95 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10587627 0.94 EHMT1 (0.71) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10585105 0.92 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10586454 0.88 PRKACA (0.67) EHMT1PRKACAAHCYMARS1DNPH1

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
US-6548486-B1 New viricide compounds of the general formula: Nu-O-Fa, wherein O represents an oxygen, Nu is a nucleoside or nucleoside analogue, and Fa is an acyl group of mono-unsaturated c18-c20 fatty acid NORSK HYDRO A.S. (NO) 2003-04-15 US disclosed
EP-0642525-B1 Nucleosides being O-acylated with a mono-unsaturated omega-9 C18 or C20 fatty acid NORSK HYDRO AS (NO) 1997-05-02 EP disclosed
WO-1993007163-A1 CHEMICAL COMPOUNDS NORSK HYDRO A.S. (NO) 1993-04-15 WO disclosed