SCHEMBL13822129

SCHEMBL13822129

CCCCCc1cc(OC(=O)[C@@H](O)CO)c(C2C=C(C)CC[C@H]2C)c(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
ACE2 Q9BYF1 5/20 0.52
BCHE P06276 1/20 0.44

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
SCHEMBL7850810 0.83 OPRM1 (0.70) OPRM1ACE2BCHE
SCHEMBL23348482 0.82 OPRM1 (0.62) OPRM1ACE2BCHE
SCHEMBL16905355 0.81 OPRM1 (0.65) OPRM1ACE2BCHE
SCHEMBL7858207 0.78 BCHE (0.72) OPRM1BCHE
SCHEMBL16404759 0.77 OPRM1 (0.62) OPRM1ACE2BCHE
SCHEMBL20707869 0.77 CNR2 (0.66)
SCHEMBL20707949 0.77 CNR2 (0.66)
SCHEMBL11937374 0.77 CNR2 (0.66)
SCHEMBL13826847 0.77 OPRM1 (0.51) OPRM1ACE2BCHE
SCHEMBL13826853 0.77 OPRM1 (0.51) OPRM1ACE2BCHE

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-2009073633-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2009-06-11 WO disclosed