SCHEMBL8299309

SCHEMBL8299309

Cc1c[nH]c2cc(Cl)c(O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ATM Q13315 1/20 0.39
ADRA1A P35348 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRKAB2 O43741 7/20 0.38
PRKAG1 P54619 7/20 0.38
PRKAA2 P54646 7/20 0.38
PRKAA1 Q13131 7/20 0.38
PRKAG3 Q9UGI9 7/20 0.38
PRKAG2 Q9UGJ0 7/20 0.38
PRKAB1 Q9Y478 7/20 0.38
MCL1 Q07820 1/20 0.38
GPR84 Q9NQS5 2/20 0.36
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35

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
SCHEMBL29638857 0.86 SRC (0.48) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL435044 0.86 SRC (0.48) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL16122568 0.84 ATM (0.45) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL15730605 0.82 ATM (0.43) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL17429815 0.78 GRIN2D (0.45) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL8959908 0.77 GPR84 (0.61) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL30622593 0.77 GPR84 (0.61) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL19708398 0.77 CSNK2A1 (0.53) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL12657284 0.76 ATM (0.54) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL15255990 0.74 LMNA (0.46) ATMADRA1AHPGDHSD17B10MCL1

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
WO-2005039617-A1 USE OF CYCLIC ANABAENOPEPTIN-TYPE PEPTIDES FOR THE TREATMENT OF A CONDITION WHEREIN INHIBITION OF CARBOXYPEPTIDASE U IS BENEFICIAL, NOVEL ANABAENOPEPTIN DERIVATIVES AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2005-05-06 WO disclosed