SCHEMBL23044011

SCHEMBL23044011

CC(C)C(=O)c1c(O)c(CC2=C(O)C(C)(C)C(=O)C(C(=O)C(C)C)C2=O)c(O)c2c1OC(C)(C)C=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL23043805 0.83 KDM4E (0.37) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL3483228 0.81 PTGES (0.41) PTGESALOX5KDM4EMEN1ALDH1A1
Uliginosin B SCHEMBL20301647 0.80 FASN (0.41) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL23044078 0.77 PTGES (0.40) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL23044598 0.75 PTGES (0.35) PTGESALOX5MEN1KMT2A
Drummondin A SCHEMBL31237529 0.69 FASN (0.42) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL30450843 0.66 SLC6A2 (0.42) ALOX5KDM4EALDH1A1MAPTUSP2
SCHEMBL24785845 0.60 KDM4E (0.84) PTGESALOX5KDM4EMEN1ALDH1A1
Mallotochromene SCHEMBL30616016 0.59 KDM4E (0.59) PTGESALOX5KDM4EMEN1ALDH1A1
SCHEMBL31345881 0.56 CYP3A4 (0.55) PTGESALOX5KDM4EMEN1ALDH1A1

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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