SCHEMBL23043817

SCHEMBL23043817

CC(C)=CCc1c(O)c(CC2=C(O)C(C)(C)C(=O)C(C[C@@H](C)C=O)C2=O)c(O)c(C[C@@H](C)C=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.32

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 0.77 ALOX5 (0.33) MAOB
SCHEMBL23044598 0.70 PTGES (0.35) —
SCHEMBL23044596 0.63 ALOX5 (0.35) MAOB
SCHEMBL3483215 0.63 PTGES (0.37) —
SCHEMBL29928966 0.62 FASN (0.48) —
SCHEMBL29377594 0.56 FASN (0.46) MAOB
SCHEMBL24075655 0.54 MEN1 (0.49) MAOB
SCHEMBL15360775 0.52 PTGES (0.56) MAOB
SCHEMBL31580826 0.52 MAOB (0.57) MAOB
SCHEMBL27028792 0.52 CYP19A1 (0.51) MAOB

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 2 patents. 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
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 — — US disclosed
Send feedback