SCHEMBL4293552

SCHEMBL4293552

O=C(c1coc(CCCCCCCc2ccccc2)n1)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.72
CES1 P23141 5/20 0.53
NCEH1 Q6PIU2 1/20 0.53
FAAH O00519 6/20 0.52

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
SCHEMBL2162438 0.84 DAGLA (1.00) DAGLACES1NCEH1FAAH
SCHEMBL2164447 0.82 DAGLA (0.65) DAGLACES1NCEH1FAAH
SCHEMBL4284832 0.76 CES1 (0.62) DAGLACES1NCEH1FAAH
SCHEMBL2162463 0.75 DAGLA (0.56) DAGLACES1NCEH1FAAH
SCHEMBL4285196 0.71 ATM (0.44) DAGLACES1NCEH1
SCHEMBL4282566 0.70 DAGLA (0.62) DAGLACES1NCEH1
SCHEMBL2162839 0.69 CES1 (1.00) DAGLACES1NCEH1
SCHEMBL2162583 0.69 DAGLA (1.00) DAGLACES1NCEH1FAAH
SCHEMBL1706448 0.69 CES1 (0.39) DAGLACES1NCEH1
SCHEMBL11959477 0.68 CES1 (0.53) DAGLACES1

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-2009154785-A2 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-23 WO disclosed