SCHEMBL23765235

SCHEMBL23765235

CCCCc1cc(OC(=O)c2ccc3ccccc3c2)c(C2CCC=C(C)C2)c(OC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CTSK P43235 1/20 0.32
OPRM1 P35372 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL22946427 0.82 CFTR (0.38) CFTRACE2OPRM1ABCB1ABCG2
SCHEMBL23765261 0.80 ACE2 (0.41) CFTRACE2OPRM1
SCHEMBL22705342 0.75 OPRM1 (0.47) CNR1CNR2ACE2OPRM1TRPV1
SCHEMBL22705440 0.74 OPRM1 (0.46) CNR1CNR2ACE2OPRM1TRPV1
SCHEMBL23765234 0.73 CNR1 (0.70) CNR1CNR2
SCHEMBL23765310 0.72 BCHE (0.42) CNR1CNR2OPRM1
SCHEMBL23765307 0.71 CNR1 (0.39) CNR1CNR2
SCHEMBL22705376 0.71 ADRA1D (0.35) CNR1CNR2
SCHEMBL23765328 0.70 CNR2 (0.59) CNR1CNR2TRPV1
SCHEMBL23765170 0.70 CNR1 (0.73) CNR1CNR2

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-2021163023-A1 STABLE FORMULATIONS OF DRONABINOL TRYAGx Labs Inc. (US) 2021-08-19 WO disclosed