SCHEMBL10065701

SCHEMBL10065701

CC(C)=CCC/C(C)=C/CO[C@@]1(C)CCc2c(O)cc3c(c2O1)CN(CC(C)C(=O)O)C3=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.40
▸ ALOX5 P09917 9/20 0.40
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL15744226 0.87 ALOX5 (0.54) ALOX5PTGES
SCHEMBL23940981 0.81 ALOX5 (0.40) PSEN1ALOX5PTGES
SCHEMBL9882380 0.81 ALOX5 (0.40) PSEN1ALOX5PTGES
SCHEMBL24632221 0.73 ALOX5 (0.49) ALOX5
SCHEMBL23941478 0.72 ALOX5 (0.35) PSEN1ALOX5PTGES
SCHEMBL9880202 0.72 ALOX5 (0.45) PSEN1ALOX5PTGES
SCHEMBL9880204 0.72 ALOX5 (0.45) PSEN1ALOX5PTGES
SCHEMBL9880203 0.72 APP (0.34) PSEN1ALOX5PTGESACHE
SCHEMBL13663952 0.72 ALOX5 (0.35) PSEN1ALOX5PTGES
SCHEMBL9880206 0.72 ALOX5 (0.44) PSEN1ALOX5PTGES

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-2452679-A1 CYTOPROTECTIVE AGENT National University Corporation Tokyo University Of Agriculture and Technology (JP) 2012-05-16 — — EP disclosed
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