SCHEMBL23765177

SCHEMBL23765177

CCCCc1cc(OC(C)C)c(C2CCC=C(C)C2)c(O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.42
CNR2 P34972 7/20 0.42
DAGLA Q9Y4D2 3/20 0.42
PPARG P37231 2/20 0.42
LDHA P00338 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
NAAA Q02083 1/20 0.42
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
PTPN1 P18031 1/20 0.32
PTGES O14684 1/20 0.32
TOP2A P11388 1/20 0.32
SMPD1 P17405 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
SCHEMBL23765255 0.94 DAGLA (0.43) CNR1CNR2DAGLAPPARGLDHA
SCHEMBL23765238 0.80 DAGLA (0.48) CNR1CNR2DAGLAPPARGLDHA
SCHEMBL20047254 0.77 DAGLA (0.52) CNR1CNR2DAGLAPPARGLDHA
SCHEMBL23026535 0.77 DAGLA (0.52) CNR1CNR2DAGLAPPARGLDHA
SCHEMBL22705342 0.75 OPRM1 (0.47) CNR1CNR2PPARGLDHATRPM8
SCHEMBL22705440 0.74 OPRM1 (0.46) CNR1CNR2PPARGLDHATRPM8
SCHEMBL23765304 0.73 DAGLA (0.50) CNR1CNR2DAGLAPPARGLDHA
SCHEMBL23155109 0.73 DAGLA (0.50) CNR1CNR2DAGLAPPARGLDHA
SCHEMBL31545876 0.71 CNR1 (0.46) CNR1CNR2
SCHEMBL21665458 0.70 CNR1 (0.32) 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 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