SCHEMBL4728706

SCHEMBL4728706

O=C(O)c1n[nH]c2c1COc1cc(Cl)c(-c3ccccc3Cl)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR2 Q8TDS4 7/20 0.41
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
NPY5R Q15761 1/20 0.36
PIK3CA P42336 1/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PIM1 P11309 1/20 0.35
ATM Q13315 1/20 0.35
PAK1 Q13153 1/20 0.34

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
SCHEMBL4728060 0.89 ALPL (0.43) ALPLKDM4EALDH1A1HSD17B10HCAR2
SCHEMBL4729634 0.85 KDM4E (0.40) KDM4EALDH1A1HSD17B10GLAPOLB
SCHEMBL4727175 0.83 HCAR2 (0.39) ALPLKDM4EALDH1A1HSD17B10HCAR2
SCHEMBL4730399 0.81 ALPL (0.40) ALPLKDM4EALDH1A1HSD17B10HCAR2
SCHEMBL4779778 0.81 ALPL (0.40) ALPLKDM4EALDH1A1HSD17B10HCAR2
SCHEMBL2171482 0.81 KDM4E (0.59) ALPLKDM4EALDH1A1HSD17B10HCAR2
SCHEMBL4727651 0.80 MARS1 (0.43) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4730236 0.80 ESRRB (0.39) ALPLKDM4EALDH1A1HSD17B10PRKAB2
SCHEMBL2171831 0.79 HCAR2 (0.40) ALPLKDM4EALDH1A1HSD17B10HCAR2
SCHEMBL4726990 0.79 PDGFRB (0.40) ALPLALDH1A1PRKAB2PRKAG1PRKAA2

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