SCHEMBL805998

SCHEMBL805998

CCCCCCCCCCCCC(C)OCC(C)(C)OC(=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR84 Q9NQS5 7/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL10046538 0.78 MAPT (0.37) MAPT
SCHEMBL806041 0.77 MAPT (0.36) MAPT
SCHEMBL17560015 0.76 MAPT (0.40) CA1MAPTCA2
SCHEMBL3320520 0.74 FAAH (0.65) FAAHCNR1CNR2GPR84CA1
SCHEMBL29166710 0.74 CA1 (0.40) CA1MAPTCA2
SCHEMBL17560018 0.74 FAAH (0.65) FAAHCNR1CNR2GPR84CA1
SCHEMBL17560003 0.74 FAAH (0.65) FAAHCNR1CNR2GPR84CA1
SCHEMBL18826090 0.72 CES2 (0.41) MAPT
SCHEMBL21533847 0.72 CES2 (0.41) MAPT
SCHEMBL21533861 0.72 CES2 (0.41) MAPT

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-2012037475-A1 NOVEL COMPOSITIONS AND METHODS CHEMSMART, LLC (US) 2012-03-22 WO disclosed