SCHEMBL7971192

SCHEMBL7971192

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCOc1ccc(C(=O)N(C)C)cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.57
DRD2 P14416 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LSS P48449 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7971231 0.96 GPR119 (0.53) GPR119DRD2L3MBTL1GAATBXAS1
SCHEMBL7974351 0.87 TP53 (0.51) L3MBTL1GAA
SCHEMBL7972638 0.86 MAPT (0.55) GPR119L3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL7971240 0.84 GPR119 (0.55) GPR119DRD2L3MBTL1GAATBXAS1
SCHEMBL7961401 0.83 TP53 (0.49) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7972769 0.83 MAPT (0.47) L3MBTL1GAATBXAS1ALDH1A1
SCHEMBL7961494 0.82 MAPT (0.56) L3MBTL1GAAALDH1A1SMN1; SMN2
SCHEMBL7971121 0.81 GPR119 (0.51) GPR119DRD2L3MBTL1GAATBXAS1
SCHEMBL7971292 0.79 HRH3 (0.41) GPR119L3MBTL1GAA
SCHEMBL7961432 0.78 HPGD (0.54) DRD2L3MBTL1GAAALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed