SCHEMBL24180484

SCHEMBL24180484

C=COc1cc(CCCCC)c(C(=O)O)c(O)c1[C@@H]1C=C(C)CCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.54
NAAA Q02083 1/20 0.54
CNR1 P21554 10/20 0.49
CNR2 P34972 7/20 0.49
PPARG P37231 2/20 0.49
LDHA P00338 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
TRPV1 Q8NER1 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22860948 0.93 DAGLA (0.52) DAGLANAAACNR1CNR2PPARG
SCHEMBL22424711 0.92 CNR1 (0.57) DAGLANAAACNR1CNR2PPARG
SCHEMBL24180485 0.92 CNR1 (0.57) DAGLANAAACNR1CNR2PPARG
SCHEMBL23026535 0.88 DAGLA (0.52) DAGLANAAACNR1CNR2PPARG
SCHEMBL20047254 0.88 DAGLA (0.52) DAGLANAAACNR1CNR2PPARG
SCHEMBL22907890 0.87 CNR1 (0.43) DAGLANAAACNR1CNR2PPARG
SCHEMBL25649806 0.87 DAGLA (0.58) DAGLANAAACNR1CNR2PPARG
SCHEMBL22860828 0.85 DAGLA (0.66) DAGLANAAACNR1CNR2PPARG
SCHEMBL29552874 0.85 DAGLA (0.66) DAGLANAAACNR1CNR2PPARG
SCHEMBL20987927 0.85 DAGLA (0.66) DAGLANAAACNR1CNR2PPARG

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
EP-3509638-B1 CANNABIDIOLIC ACID ESTERS COMPOSITIONS AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2022-01-12 EP disclosed