SCHEMBL21710543

SCHEMBL21710543

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

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.97
▸ BACE1 P56817 4/20 0.97
▸ PTPN1 P18031 2/20 0.97
▸ MAOB P27338 6/20 0.71
▸ PTGES O14684 1/20 0.70
▸ ALOX5 P09917 1/20 0.70
▸ PTGS1 P23219 1/20 0.70
▸ PTGS2 P35354 1/20 0.70
▸ SLC6A3 Q01959 1/20 0.67
▸ TRPM7 Q96QT4 1/20 0.67
▸ DAGLA Q9Y4D2 1/20 0.67
▸ CNR2 P34972 1/20 0.65
▸ CTSL P07711 1/20 0.57
▸ MGAM O43451 1/20 0.56
▸ PPARG P37231 1/20 0.53
▸ PPARD Q03181 1/20 0.53
▸ PPARA Q07869 1/20 0.53

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
SCHEMBL29770918 1.00 APP (0.97) APPBACE1PTPN1MAOBPTGES
SCHEMBL15363878 1.00 APP (0.97) APPBACE1PTPN1MAOBPTGES
SCHEMBL15363875 1.00 APP (0.97) APPBACE1PTPN1MAOBPTGES
Grifolic Acid SCHEMBL12180037 0.99 APP (1.00) APPBACE1PTPN1MAOBPTGES
Grifolic Acid SCHEMBL20819669 0.99 APP (1.00) APPBACE1PTPN1MAOBPTGES
SCHEMBL2725955 0.91 APP (0.81) APPBACE1PTPN1MAOBPTGES
SCHEMBL23523338 0.87 BACE1 (0.76) APPBACE1PTPN1MAOBPTGES
SCHEMBL23523334 0.87 BACE1 (0.76) APPBACE1PTPN1MAOBPTGES
SCHEMBL15375169 0.86 APP (0.74) APPBACE1PTPN1MAOBPTGES
SCHEMBL25560668 0.86 SLC6A3 (0.79) 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
WO-2020031179-A1 METHODS FOR SYNTHESIS OF CANNABINOID COMPOUNDS BEETLEBUNG PHARMA LTD. (IL) 2020-02-13 — — WO disclosed
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