SCHEMBL23044520

SCHEMBL23044520

CC(C)=CCc1c(O)c(CC2C(=O)C(C(=O)C(C)C)=C(O)C(C)(C)C2=O)c(O)c(C[C@@H](C)C=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ MAOB P27338 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL23044596 0.88 ALOX5 (0.35) ALOX5MAOBMEN1KMT2A
SCHEMBL23043817 0.77 MAOB (0.32) MAOB
SCHEMBL3483215 0.65 PTGES (0.37) ALOX5MEN1KMT2A
SCHEMBL23044078 0.65 PTGES (0.40) ALOX5MEN1KMT2A
SCHEMBL23044598 0.65 PTGES (0.35) ALOX5MEN1KMT2A
SCHEMBL24075655 0.63 MEN1 (0.49) ALOX5MAOBMEN1KMT2A
SCHEMBL29928966 0.63 FASN (0.48) ALOX5MEN1KMT2A
SCHEMBL13649117 0.62 ALOX5 (0.55) ALOX5MEN1KMT2A
SCHEMBL31580515 0.60 MEN1 (0.49) ALOX5MAOBMEN1KMT2A
SCHEMBL24733041 0.58 ALOX5 (0.55) ALOX5MEN1KMT2A

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 claimed
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