SCHEMBL7971121

SCHEMBL7971121

COC1=C(OC)C(=O)C2=C(CC(CCCOc3ccc(C(=O)N(C)C)cc3)C2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.51
DRD2 P14416 1/20 0.41
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL7971240 0.97 GPR119 (0.55) GPR119DRD2TBXAS1ALDH1A1HPGD
SCHEMBL7974717 0.87 PKM (0.48) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7977465 0.84 TP53 (0.49) L3MBTL1GAA
SCHEMBL7971231 0.84 GPR119 (0.53) GPR119DRD2TBXAS1ALDH1A1HPGD
SCHEMBL7971192 0.81 GPR119 (0.57) GPR119DRD2TBXAS1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7974569 0.81 HRH3 (0.47) GPR119MAOB
SCHEMBL7977603 0.80 L3MBTL1 (0.47) TBXAS1ALDH1A1L3MBTL1GAA
SCHEMBL7974636 0.78 ITGB3 (0.42) GPR119L3MBTL1
SCHEMBL12735804 0.77 GPR119 (0.61) GPR119
SCHEMBL7961033 0.76 MEN1 (0.43) SMN1; SMN2

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