SCHEMBL4731322

SCHEMBL4731322

O=C(O)c1n[nH]c2c1COc1c(Cl)cc(-c3ccc(Cl)cc3Cl)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.44
ALPL P05186 7/20 0.42
PRKAB2 O43741 7/20 0.39
PRKAG1 P54619 7/20 0.39
PRKAA2 P54646 7/20 0.39
PRKAA1 Q13131 7/20 0.39
PRKAG3 Q9UGI9 7/20 0.39
PRKAG2 Q9UGJ0 7/20 0.39
PRKAB1 Q9Y478 7/20 0.39
SRD5A2 P31213 1/20 0.38
AHR P35869 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL4727027 0.91 MARS1 (0.42) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4729857 0.86 PRKAB2 (0.47) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4731047 0.85 MAPT (0.43) ALPLMAPTHPGD
SCHEMBL4728060 0.81 ALPL (0.43) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4727651 0.79 MARS1 (0.43) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4779778 0.78 ALPL (0.40) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4730399 0.78 ALPL (0.40) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4730236 0.77 ESRRB (0.39) MARS1ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL4784484 0.77 MAPT (0.41) ALPLMAPTHPGD
SCHEMBL4726990 0.76 PDGFRB (0.40) MARS1ALPLPRKAB2PRKAG1PRKAA2

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