SCHEMBL23043805

SCHEMBL23043805

CC(C)C(=O)c1c(O)c(CC2=C(O)C(C)(C)C(=O)C(C[C@@H](C)C=O)C2=O)c(O)c2c1OC(C)(C)C=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EEF2K O00418 1/20 0.37
▸ GMNN O75496 1/20 0.37

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
SCHEMBL23044011 0.83 PTGES (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23044078 0.78 PTGES (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3483228 0.77 PTGES (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
Uliginosin B SCHEMBL20301647 0.77 FASN (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23043817 0.68 MAOB (0.32) —
Drummondin A SCHEMBL31237529 0.66 FASN (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL30450843 0.65 SLC6A2 (0.42) KDM4EALDH1A1MAPTUSP2TP53
SCHEMBL23044598 0.61 PTGES (0.35) MEN1KMT2APTGESALOX5
SCHEMBL24785845 0.59 KDM4E (0.84) KDM4EMEN1ALDH1A1MAPTKMT2A
Mallotochromene SCHEMBL30616016 0.57 KDM4E (0.59) KDM4EMEN1ALDH1A1MAPTKMT2A

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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