SCHEMBL3892979

SCHEMBL3892979

CCCCCC=CCC=CCC=CCC=CCCCCOC(CCCCC=CCC=CCC=CCC=CCCCCC)C(O)CO

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
CNR1 P21554 1/20 0.64
CNR2 P34972 1/20 0.64
FAAH O00519 1/20 0.45

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
SCHEMBL16208869 0.99 ALDH1A1 (0.62) ALDH1A1CNR1CNR2
Ethylene Glycol SCHEMBL26618260 0.97 ALDH1A1 (0.61) ALDH1A1CNR1CNR2
SCHEMBL7202735 0.94 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
SCHEMBL16086048 0.94 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
SCHEMBL28992552 0.94 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
SCHEMBL7591414 0.94 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
SCHEMBL1735177 0.94 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
SCHEMBL28992543 0.94 ALDH1A1 (0.55) ALDH1A1CNR1CNR2
Ethylene Glycol SCHEMBL26618285 0.93 ALDH1A1 (0.54) ALDH1A1CNR1CNR2
SCHEMBL29133995 0.90 ALDH1A1 (0.51) ALDH1A1CNR1CNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7628975-B2 kits for discriminating between COX-1 and COX-2 activity; screening for a tumor, monitoring anticancer treatment or antiinflammatory treatment; less invasive; 2-arachidonylglycerol is a substrate of the COX-2 enzyme, but not COX-1 VANDERBILT UNIVERSITY (US) 2009-12-08 US disclosed
EP-1307585-B1 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY AND 2-ARACHIDONYLGLYCEROL METABOLITES UNIV VANDERBILT (US) 2009-01-21 EP disclosed
US-7189504-B2 Compositions and methods for detecting and quantifying COX-2 activity and 2-arachidonylglycerol metabolites VANDERBILT UNIVERSITY (US) 2007-03-13 US disclosed
US-20060110786-A1 Compositions and methods for detecting and quantifying COX-2 activity and 2-arachidonylgycerol metabolites VANDERBILT UNIVERSITY 2006-05-25 US disclosed
EP-1307585-A4 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY AND 2-ARACHIDONYLGLYCEROL METABOLITES UNIV VANDERBILT (US) 2005-03-02 EP disclosed
EP-1307585-A1 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY AND 2-ARACHIDONYLGLYCEROL METABOLITES VANDERBILT UNIVERSITY (US) 2003-05-07 EP disclosed
US-20020064804-A1 Compositions and methods for detecting and quantifying COX-2 activity and 2-arachidonylglycerol metabolites VANDERBILT UNIVERSITY 2002-05-30 US disclosed
WO-2002012549-A1 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY AND 2-ARACHIDONYLGLYCEROL METABOLITES VANDERBILT UNIVERSITY (US) 2002-02-14 WO disclosed