SCHEMBL4731047

SCHEMBL4731047

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALPL P05186 4/20 0.39
TARBP2 Q15633 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
GABRA2 P47869 4/20 0.37
GABRB2 P47870 4/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4784484 0.92 MAPT (0.41) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4731229 0.88 MAPT (0.45) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4731322 0.85 MARS1 (0.44) MAPTALPLHPGD
SCHEMBL4726712 0.84 MAPT (0.42) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4728276 0.82 MAPT (0.43) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4726914 0.81 MAPT (0.39) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4726897 0.80 GAA (0.40) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4727728 0.80 ALPL (0.44) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4726979 0.80 SMN1; SMN2 (0.39) MAPTTSHRNPC1POLBRAB9A
SCHEMBL4727027 0.77 MARS1 (0.42) MAPTALPLHPGD

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