SCHEMBL4730236

SCHEMBL4730236

O=C(O)c1n[nH]c2c1COc1cc(-c3cccc(Cl)c3)c(-c3ccc(Cl)cc3Cl)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
PRKAB2 O43741 5/20 0.39
PRKAG1 P54619 5/20 0.39
PRKAA2 P54646 5/20 0.39
PRKAA1 Q13131 5/20 0.39
PRKAG3 Q9UGI9 5/20 0.39
PRKAG2 Q9UGJ0 5/20 0.39
PRKAB1 Q9Y478 5/20 0.39
ALPL P05186 2/20 0.37
MARS1 P56192 1/20 0.37
PIN1 Q13526 1/20 0.35
PIK3CA P42336 1/20 0.34
MAPK1 P28482 3/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
KCNH2 Q12809 2/20 0.33
MAPK10 P53779 2/20 0.33
CHRM1 P11229 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4727651 0.91 MARS1 (0.43) ESRRBESRRAPRKAB2PRKAG1PRKAA2
SCHEMBL4728060 0.88 ALPL (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4726979 0.87 SMN1; SMN2 (0.39) ALPLMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL4730399 0.84 ALPL (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4779778 0.84 ALPL (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4729857 0.84 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4726990 0.82 PDGFRB (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4728706 0.80 ALPL (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4728276 0.78 MAPT (0.43) ALPLMAPK1CNR1CNR2KCNH2
SCHEMBL4731322 0.77 MARS1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed