SCHEMBL22860938

SCHEMBL22860938

C=C(C)c1ccc(C)cc1-c1c(O)cc(CCCCC)c2c1OC(C)(C)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.42
▸ CNR1 P21554 8/20 0.42
▸ TRPA1 O75762 2/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ TRPV3 Q8NET8 2/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.42
▸ TRPV2 Q9Y5S1 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PPARG P37231 2/20 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
SCHEMBL29661407 1.00 CNR2 (0.42) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29661393 0.89 CNR1 (0.38) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29661541 0.89 CNR2 (0.39) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22860940 0.89 CNR2 (0.39) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29661426 0.88 CNR1 (0.39) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22860887 0.88 CNR2 (0.39) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29661360 0.88 CNR2 (0.39) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22860888 0.88 CNR1 (0.39) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL22860885 0.88 CNR2 (0.38) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29661347 0.88 CNR2 (0.38) CNR2CNR1TRPA1TRPV1TRPV3

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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