SCHEMBL22860889

SCHEMBL22860889

CCCCCc1cc(O)c(-c2cccc(C)c2)c2c1C(=O)OC(C)(CC(C)=O)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ TRPV2 Q9Y5S1 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FPR1 P21462 1/20 0.35

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
SCHEMBL29717107 1.00 CNR1 (0.36) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860954 0.88 CNR1 (0.35) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860893 0.88 L3MBTL1 (0.39) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL29661653 0.88 L3MBTL1 (0.39) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860835 0.87 L3MBTL1 (0.46) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860890 0.87 L3MBTL1 (0.36) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860943 0.86 CNR2 (0.37) CNR1CNR2L3MBTL1FPR1ICMT
SCHEMBL29717057 0.86 CNR1 (0.34) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860813 0.86 CNR1 (0.34) CNR1CNR2TRPA1CYP1A1CYP1A2
SCHEMBL22860832 0.85 CNR2 (0.38) CNR1CNR2TRPA1CYP1A1CYP1A2

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-2021000054-A1 CANNABINOID DERIVATIVES CANOPY GROWTH CORPORATION (CA) 2021-01-07 — — WO disclosed
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