SCHEMBL7974636

SCHEMBL7974636

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.42
ITGA2B P08514 15/20 0.42
HRH3 Q9Y5N1 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
ITGAV P06756 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
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
SCHEMBL7977465 0.84 TP53 (0.49) L3MBTL1
SCHEMBL7961033 0.84 MEN1 (0.43) HRH3
SCHEMBL7971240 0.81 GPR119 (0.55) GPR119L3MBTL1
SCHEMBL7971292 0.81 HRH3 (0.41) ITGB3ITGA2BHRH3GPR119L3MBTL1
Hydrochloric Acid SCHEMBL7974569 0.81 HRH3 (0.47) HRH3GPR119
SCHEMBL7977603 0.81 L3MBTL1 (0.47) HRH3L3MBTL1
SCHEMBL7961113 0.81 HPGD (0.42) ITGB3ITGA2B
SCHEMBL7974717 0.81 PKM (0.48) L3MBTL1
Hydrochloric Acid SCHEMBL7974459 0.80 SMN1; SMN2 (0.50) HRH3L3MBTL1
SCHEMBL7971121 0.78 GPR119 (0.51) GPR119L3MBTL1

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