SCHEMBL27794073

SCHEMBL27794073

COc1ccc(O)c2oc(=O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.58
▸ CA9 Q16790 7/20 0.57
▸ CA12 O43570 6/20 0.57
▸ CA1 P00915 6/20 0.57
▸ CA7 P43166 6/20 0.57
▸ CA13 Q8N1Q1 6/20 0.57
▸ CA2 P00918 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL16283613 0.79 MET (0.57) MCL1CA9CA12CA1CA7
SCHEMBL9006756 0.78 MCL1 (0.40) MCL1CA9CA12CA1CA7
SCHEMBL3362853 0.77 MAOB (0.59) MCL1CA9CA12CA1CA7
SCHEMBL28372652 0.76 MAOA (0.73) MCL1CA9CA12CA1CA7
SCHEMBL31169352 0.74 MCL1 (1.00) MCL1CA9CA12CA1CA7
SCHEMBL5085582 0.74 MCL1 (1.00) MCL1CA9CA12CA1CA7
SCHEMBL5794191 0.72 CA12 (1.00) CA9CA12CA1CA7CA13
SCHEMBL27718011 0.72 CA9 (0.57) MCL1CA9CA12CA1CA7
SCHEMBL8442563 0.72 HPGD (0.72) MCL1KDM4EALDH1A1MAPTHPGD
Fraxetin SCHEMBL43472 0.71 CA9 (1.00) MCL1CA9CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101664463-B Hypoglycemic active part and hypoglycemic effective component of luculia pinceana, preparation method and application thereof UNIV HENAN 2012-07-25 — — CN claimed
CN-101664463-A Hypoglycemic active part and hypoglycemic effective component of luculia pinceana, preparation method and application thereof UNIV HENAN 2010-03-10 — — CN claimed
CN-101664463-B Hypoglycemic active part and hypoglycemic effective component of luculia pinceana, preparation method and application thereof UNIV HENAN 2012-07-25 — — CN disclosed
CN-101664463-A Hypoglycemic active part and hypoglycemic effective component of luculia pinceana, preparation method and application thereof UNIV HENAN 2010-03-10 — — CN disclosed
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