SCHEMBL23044598

SCHEMBL23044598

CC(C)=CCc1c(O)c(CC2=C(O)C(C)(C)C(=O)C(C(=O)C(C)C)C2=O)c(O)c(C(=O)C(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.35
▸ HIF1A Q16665 10/20 0.33
▸ EPAS1 Q99814 10/20 0.33
▸ ALOX5 P09917 3/20 0.33
▸ FASN P49327 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL3483215 0.79 PTGES (0.37) PTGESHIF1AEPAS1ALOX5FASN
SCHEMBL29928966 0.78 FASN (0.48) PTGESHIF1AEPAS1ALOX5FASN
SCHEMBL23044596 0.76 ALOX5 (0.35) PTGESHIF1AEPAS1ALOX5MEN1
SCHEMBL23044011 0.75 PTGES (0.39) PTGESALOX5MEN1KMT2A
SCHEMBL24075655 0.75 MEN1 (0.49) PTGESHIF1AEPAS1ALOX5PTGS1
SCHEMBL31580515 0.72 MEN1 (0.49) PTGESHIF1AEPAS1ALOX5PTGS1
SCHEMBL29377594 0.71 FASN (0.46) PTGESALOX5FASNPTGS1
SCHEMBL23043817 0.70 MAOB (0.32) —
SCHEMBL13629032 0.68 ALOX5 (0.41) PTGESALOX5MEN1KMT2A
SCHEMBL24074936 0.66 PTGES (0.60) PTGESALOX5PTGS1

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
WO-2021042001-A1 COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES Natural Extraction Systems, LLC (US) 2021-03-04 — — WO disclosed
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