SCHEMBL6536286

SCHEMBL6536286

CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
CYP1A2 P05177 1/20 0.64
HTR1A P08908 1/20 0.64
CYP2D6 P10635 1/20 0.64
ADRB3 P13945 1/20 0.64
PDE4A P27815 1/20 0.64
PTGS2 P35354 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RXFP1 Q9HBX9 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL6536080 0.91 CYP1A2 (0.65) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL3997278 0.86 CYP1A2 (0.64) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL29607926 0.86 CYP1A2 (0.64) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL6536451 0.86 CYP1A2 (0.64) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL23092238 0.86 CYP1A2 (0.64) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL20419329 0.83 PRKAB2 (0.62) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL9204101 0.80 PRKAB2 (0.47) LMNACYP1A2HTR1ACYP2D6ADRB3
SCHEMBL29721489 0.79 PRKAB2 (0.70) LMNASMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL27209464 0.79 PRKAB2 (0.70) LMNASMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL6536429 0.79 HSP90B1 (0.57) PDE4DPDE3ASMN1; SMN2PRKAB2PRKAG1

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