SCHEMBL4286697

SCHEMBL4286697

O=C(CCCCCc1ccccc1)Cc1nc(Br)co1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 9/20 0.49
CES1 P23141 4/20 0.49
NCEH1 Q6PIU2 3/20 0.49
FAAH O00519 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALOX5 P09917 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL4286916 0.80 CES1 (0.69) DAGLACES1NCEH1FAAH
SCHEMBL2162450 0.79 DAGLA (0.72) DAGLACES1NCEH1
SCHEMBL25456057 0.74 MAPT (0.66) CES1FAAHMAPTRXFP1ALOX5
SCHEMBL11137519 0.73 MAPT (0.77) CES1FAAHMAPTRXFP1ALOX5
SCHEMBL1508071 0.73 MAPT (0.77) CES1FAAHMAPTRXFP1ALOX5
SCHEMBL28609434 0.73 MAPT (0.77) CES1FAAHMAPTRXFP1ALOX5
SCHEMBL4886613 0.72 MAPT (0.73) CES1FAAHMAPTRXFP1ALOX5
SCHEMBL6660129 0.71 MAPT (0.54) DAGLACES1NCEH1FAAHMAPT
SCHEMBL8102562 0.71 MAPT (0.67) CES1FAAHMAPTRXFP1ALOX5
SCHEMBL12813508 0.71 MAPT (0.67) CES1FAAHMAPTRXFP1ALOX5

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