SCHEMBL7971240

SCHEMBL7971240

COC1=C(OC)C(=O)C2=C(CC(CCCCOc3ccc(C(=O)N(C)C)cc3)C2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.55
DRD2 P14416 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
TBXAS1 P24557 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL7971121 0.97 GPR119 (0.51) GPR119DRD2L3MBTL1GAATBXAS1
SCHEMBL7977465 0.87 TP53 (0.49) L3MBTL1GAA
SCHEMBL7971192 0.84 GPR119 (0.57) GPR119DRD2L3MBTL1GAATBXAS1
SCHEMBL7974717 0.84 PKM (0.48) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7977603 0.83 L3MBTL1 (0.47) L3MBTL1GAATBXAS1ALDH1A1
SCHEMBL7974636 0.81 ITGB3 (0.42) GPR119L3MBTL1
SCHEMBL7971231 0.81 GPR119 (0.53) GPR119DRD2L3MBTL1GAATBXAS1
SCHEMBL7961033 0.80 MEN1 (0.43) SMN1; SMN2
SCHEMBL7973087 0.79 HPGD (0.53) DRD2L3MBTL1GAAALDH1A1HPGD
Hydrochloric Acid SCHEMBL7974569 0.77 HRH3 (0.47) GPR119ACHE

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 1 patent. 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