SCHEMBL8968852

SCHEMBL8968852

CCCCCCCC/C=C\CCCCCCCCOC(=O)OCC(CCCCCC)CCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
EPHX2 P34913 2/20 0.45
DGKA P23743 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKCA P17252 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL8968862 1.00 FAAH (0.49) FAAHEPHX2DGKATRPV1PRKCE
SCHEMBL23223424 0.86 MGLL (0.41) FAAH
SCHEMBL10087804 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL19359800 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL9069130 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL9069135 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL10087801 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL9068872 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL9068862 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1
SCHEMBL12438195 0.86 FAAH (0.52) FAAHEPHX2DGKATRPV1

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
US-5498648-A ALKYLDIKETENE BASF AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed