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SCHEMBL23044596

SCHEMBL23044596

CC(C)=CCc1c(O)c(CC2C(=O)C(C(=O)C(C)C)=C(O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.35
▸ HIF1A Q16665 10/20 0.34
▸ EPAS1 Q99814 10/20 0.34
▸ PTGES O14684 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ ACHE P22303 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
SCHEMBL23044520 0.88 ALOX5 (0.33) ALOX5MEN1KMT2AMAOB
SCHEMBL3483215 0.77 PTGES (0.37) ALOX5HIF1AEPAS1PTGESMEN1
SCHEMBL24075655 0.76 MEN1 (0.49) ALOX5HIF1AEPAS1PTGESMEN1
SCHEMBL23044598 0.76 PTGES (0.35) ALOX5HIF1AEPAS1PTGESMEN1
SCHEMBL23044078 0.74 PTGES (0.40) ALOX5PTGESMEN1KMT2A
SCHEMBL29928966 0.74 FASN (0.48) ALOX5HIF1AEPAS1PTGESMEN1
SCHEMBL31580515 0.74 MEN1 (0.49) ALOX5HIF1AEPAS1PTGESMEN1
SCHEMBL24074936 0.67 PTGES (0.60) ALOX5PTGESMAOB
SCHEMBL29377594 0.67 FASN (0.46) ALOX5PTGESMAOB
SCHEMBL24075656 0.65 HIF1A (0.56) ALOX5HIF1AEPAS1PTGESMEN1

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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