SCHEMBL21665458

SCHEMBL21665458

CC1=CCCC(c2c(O)cc(C)cc2OC(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ACHE P22303 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
MPI P34949 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21665457 0.83 CNR1 (0.39) CNR1ACHEALDH1A1
SCHEMBL31546028 0.81 CNR1 (0.33) CNR1
SCHEMBL22705376 0.81 ADRA1D (0.35) CNR1GAA
SCHEMBL22705342 0.81 OPRM1 (0.47) CNR1ACHE
SCHEMBL31545765 0.81 CNR2 (0.31)
SCHEMBL22705440 0.80 OPRM1 (0.46) CNR1ACHE
SCHEMBL31545876 0.78 CNR1 (0.46) CNR1
SCHEMBL12957008 0.77 CNR1 (0.47) CNR1
SCHEMBL31545552 0.77 CNR2 (0.47) CNR1ACHE
SCHEMBL31545613 0.77 CNR1 (0.40) CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722276-A1 PROCESS FOR THE PRODUCTION OF CANNABIDIOL AND PURIFIED CANNABIDIOL Purisys LLC (US) 2020-10-14 EP disclosed
EP-3319952-B1 PROCESS FOR THE PRODUCTION OF CANNABIDIOL AND DELTA-9-TETRAHYDROCANNABINOL NORAMCO INC (US) 2020-02-05 EP disclosed