SCHEMBL13822126

SCHEMBL13822126

COc1ccc(C(=O)O[C@H]2COC3C2OC[C@@H]3OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 10/20 0.57
▸ ESR2 Q92731 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44

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
SCHEMBL14864323 1.00 BCHE (0.57) BCHEESR2NPC1MAPTRAB9A
SCHEMBL13708929 1.00 BCHE (0.57) BCHEESR2NPC1MAPTRAB9A
SCHEMBL12941730 1.00 BCHE (0.57) BCHEESR2NPC1MAPTRAB9A
SCHEMBL14864466 1.00 BCHE (0.57) BCHEESR2NPC1MAPTRAB9A
SCHEMBL14996374 0.95 BCHE (0.53) BCHEESR2NPC1MAPTRAB9A
SCHEMBL14454320 0.94 BCHE (0.58) BCHECA1CA2
SCHEMBL437825 0.94 BCHE (0.58) BCHECA1CA2
SCHEMBL18074845 0.94 BCHE (0.58) BCHECA1CA2
SCHEMBL18074846 0.94 BCHE (0.58) BCHECA1CA2
SCHEMBL18074852 0.94 BCHE (0.58) BCHECA1CA2

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
EP-2067796-A1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION Adeka Corporation (JP) 2009-06-10 — — EP disclosed
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