SCHEMBL23765255

SCHEMBL23765255

CCCc1cc(OC(C)C)c(C2CCC=C(C)C2)c(O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.43
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
PPARG P37231 3/20 0.37
LDHA P00338 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NAAA Q02083 1/20 0.37
PTPN1 P18031 3/20 0.35
PTPN11 Q06124 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PTPN2 P17706 1/20 0.32
LDHB P07195 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL23765177 0.94 CNR1 (0.42) DAGLACNR1CNR2PPARGLDHA
SCHEMBL23765304 0.79 DAGLA (0.50) DAGLACNR1CNR2PPARGLDHA
SCHEMBL23155109 0.79 DAGLA (0.50) DAGLACNR1CNR2PPARGLDHA
SCHEMBL23765238 0.73 DAGLA (0.48) DAGLACNR1CNR2PPARGLDHA
SCHEMBL20047254 0.73 DAGLA (0.52) DAGLACNR1CNR2PPARGLDHA
SCHEMBL23026535 0.73 DAGLA (0.52) DAGLACNR1CNR2PPARGLDHA
SCHEMBL22705342 0.72 OPRM1 (0.47) CNR1CNR2PPARGLDHATRPM8
SCHEMBL22705440 0.71 OPRM1 (0.46) CNR1CNR2PPARGLDHATRPM8
SCHEMBL21665458 0.71 CNR1 (0.32) CNR1
SCHEMBL22705376 0.70 ADRA1D (0.35) 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