SCHEMBL18597476

SCHEMBL18597476

COc1cc2c(c(O)c1C(=O)CCc1ccc(O)c(O)c1)C=CC(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.49
▸ CYP19A1 P11511 2/20 0.47
▸ HIF1A Q16665 8/20 0.46
▸ ODC1 P11926 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ HIF1AN Q9NWT6 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42

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
SCHEMBL18597480 0.90 HIF1A (0.53) HSP90AA1CYP19A1HIF1AODC1MAPT
SCHEMBL16867662 0.77 HSP90AA1 (0.68) HSP90AA1HIF1AODC1HIF1AN
SCHEMBL30040796 0.77 HSP90AA1 (0.50) HSP90AA1HIF1AODC1HIF1AN
SCHEMBL16244979 0.77 HSP90AA1 (0.50) HSP90AA1HIF1AODC1HIF1AN
SCHEMBL16245064 0.76 HIF1AN (0.67) ODC1HIF1AN
SCHEMBL14315437 0.76 HIF1AN (0.67) ODC1HIF1AN
SCHEMBL16865563 0.75 HSP90AA1 (0.66) HSP90AA1HIF1AODC1HIF1AN
SCHEMBL3705603 0.75 HSP90AA1 (0.48) HSP90AA1HIF1AODC1HIF1AN
SCHEMBL19221618 0.73 HSP90AA1 (0.47) HSP90AA1HIF1AODC1MAPTHIF1AN
SCHEMBL31376261 0.72 ODC1 (0.75) ODC1MAPTHIF1AN

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-2720693-B1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS AIGNER LUDWIG (AT) 2017-03-08 — — EP disclosed
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