SCHEMBL4727728

SCHEMBL4727728

CCOC(=O)c1n[nH]c2c1COc1cc(Cl)c(-c3ccc(Cl)cc3)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
TARBP2 Q15633 1/20 0.44
MAPT P10636 5/20 0.40
HSD17B10 Q99714 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
GCGR P47871 1/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL4728276 0.92 MAPT (0.43) ALPLTARBP2MAPTHSD17B10RAB9A
SCHEMBL4726712 0.90 MAPT (0.42) ALPLTARBP2MAPTHSD17B10RAB9A
SCHEMBL4731229 0.87 MAPT (0.45) ALPLTARBP2MAPTHSD17B10RAB9A
SCHEMBL4729634 0.86 KDM4E (0.40) MAPTHSD17B10RAB9ANPC1POLB
SCHEMBL4726914 0.85 MAPT (0.39) ALPLTARBP2MAPTHSD17B10RAB9A
SCHEMBL4726897 0.84 GAA (0.40) ALPLMAPTHSD17B10RAB9ANPC1
SCHEMBL4726979 0.84 SMN1; SMN2 (0.39) ALPLTARBP2MAPTHSD17B10RAB9A
SCHEMBL2171236 0.84 L3MBTL1 (0.38) ALPLTARBP2MAPTHSD17B10RAB9A
SCHEMBL4729379 0.83 GAA (0.40) ALPLMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4731047 0.80 MAPT (0.43) ALPLTARBP2MAPTHSD17B10RAB9A

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