SCHEMBL6536429

SCHEMBL6536429

CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)CCC)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 1/20 0.57
PRKACA P17612 2/20 0.56
AHCY P23526 1/20 0.56
MARS1 P56192 1/20 0.56
ADORA1 P30542 2/20 0.55
DNPH1 O43598 1/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55
FBP1 P09467 1/20 0.55
SRC P12931 1/20 0.55
P2RY2 P41231 1/20 0.55
P2RY1 P47900 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PDE3A Q14432 1/20 0.55

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
SCHEMBL2483993 0.93 ADORA3 (0.60) HSP90B1PRKACAMARS1ADORA1DNPH1
SCHEMBL10587742 0.93 AHCY (0.61) HSP90B1PRKACAAHCYMARS1ADORA1
SCHEMBL5504370 0.91 ADORA1 (0.67) HSP90B1AHCYADORA1SMN1; SMN2RNASEL
SCHEMBL5504365 0.91 ADORA1 (0.67) HSP90B1AHCYADORA1SMN1; SMN2RNASEL
SCHEMBL6536155 0.91 PRKACA (0.67) HSP90B1PRKACAAHCYMARS1ADORA1
SCHEMBL10586454 0.91 PRKACA (0.67) HSP90B1PRKACAAHCYMARS1ADORA1
SCHEMBL3414711 0.87 ADORA3 (0.55) HSP90B1PRKACAAHCYMARS1ADORA1
SCHEMBL12801415 0.87 ADORA3 (0.55) HSP90B1PRKACAAHCYMARS1ADORA1
SCHEMBL22875787 0.86 EHMT1 (0.60) HSP90B1PRKACAAHCY
SCHEMBL22875576 0.86 EHMT1 (0.60) HSP90B1PRKACAAHCY

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-1466004-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS Innovate Biotechnology S.R.L. (IT) 2004-10-13 EP disclosed
WO-2003057894-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2003-07-17 WO disclosed