SCHEMBL23523351

SCHEMBL23523351

CC(C)=CCC/C(C)=C/Cc1c(O)cc(C(C)C)c(C(=O)O)c1O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.74
▸ BACE1 P56817 4/20 0.74
▸ PTPN1 P18031 2/20 0.74
▸ MAOB P27338 5/20 0.67
▸ PTGES O14684 2/20 0.66
▸ ALOX5 P09917 2/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ PTGS2 P35354 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.63
▸ TRPM7 Q96QT4 1/20 0.63
▸ DAGLA Q9Y4D2 1/20 0.63
▸ CNR2 P34972 1/20 0.62
▸ CTSL P07711 1/20 0.54
▸ MGAM O43451 1/20 0.53
▸ PPARG P37231 2/20 0.50
▸ PPARD Q03181 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ DNMT1 P26358 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50

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
SCHEMBL23523352 1.00 APP (0.74) APPBACE1PTPN1MAOBPTGES
SCHEMBL29568669 0.86 SLC6A3 (0.67) APPBACE1PTPN1MAOBPTGES
SCHEMBL21814631 0.86 SLC6A3 (0.67) APPBACE1PTPN1MAOBPTGES
SCHEMBL23523573 0.86 BACE1 (0.65) APPBACE1PTPN1MAOBPTGES
SCHEMBL29530865 0.86 SLC6A3 (0.67) APPBACE1PTPN1MAOBPTGES
SCHEMBL23523577 0.86 BACE1 (0.65) APPBACE1PTPN1MAOBPTGES
Grifolic Acid SCHEMBL20819669 0.85 APP (1.00) APPBACE1PTPN1MAOBPTGES
Grifolic Acid SCHEMBL12180037 0.85 APP (1.00) APPBACE1PTPN1MAOBPTGES
SCHEMBL21710543 0.84 APP (0.97) APPBACE1PTPN1MAOBPTGES
SCHEMBL15363875 0.84 APP (0.97) APPBACE1PTPN1MAOBPTGES

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
US-20210189444-A1 METHOD OF PURIFYING CANNABINOIDS FROM YEAST FERMENTATION BROTH DEMETRIX, INC. 2021-06-24 — — US disclosed
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