SCHEMBL562629

SCHEMBL562629

CCCCCCCCCCCCOC(=O)CC1(CC(=O)OCCCCCCCCCCCC)COc2cscc2OC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 9/20 0.59
NAAA Q02083 1/20 0.43
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTR2C P28335 1/20 0.37
DGKA P23743 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
SCHEMBL182409 0.81 PRKCA (0.47) PRKCADGKA
SCHEMBL13104072 0.80 PRKCA (0.59) PRKCANAAARAD52NPSR1FAAH
SCHEMBL20999579 0.77 PRKCA (0.35) PRKCATSHRALDH1A1
SCHEMBL2340404 0.74 PRKCA (0.32) PRKCA
SCHEMBL6058822 0.70 TSHR (0.67) TSHRALDH1A1LMNA
SCHEMBL6058824 0.66 TSHR (0.61) TSHRALDH1A1LMNA
SCHEMBL112452 0.63 NAAA (1.00) NAAARAD52NPSR1FAAHTSHR
SCHEMBL207689 0.63 NAAA (0.75) NAAARAD52NPSR1FAAHTSHR
SCHEMBL18995 0.63 NAAA (0.75) NAAARAD52NPSR1FAAHTSHR
SCHEMBL17812546 0.63 NAAA (0.75) NAAARAD52NPSR1FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9093193-B2 Processing method for water soluble polymeric materials UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-07-28 US disclosed
EP-2402955-B1 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers UNIV FLORIDA (US) 2013-07-03 EP disclosed
US-20120032104-A1 PROCESSING METHOD FOR WATER SOLUBLE POLYMERIC MATERIALS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-02-09 US disclosed
EP-2402955-A1 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers University of Florida Research Foundation, Incorporated (US) 2012-01-04 EP disclosed