SCHEMBL4285196

SCHEMBL4285196

Cc1coc(CCCCCCCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAGLA Q9Y4D2 7/20 0.44
CYP2D6 P10635 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
CES1 P23141 2/20 0.43
NCEH1 Q6PIU2 1/20 0.43

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
SCHEMBL11557714 0.88 NPC1 (0.45) ATMTDP1L3MBTL1CYP2D6
SCHEMBL4284832 0.80 CES1 (0.62) DAGLASIGMAR1CES1NCEH1
SCHEMBL4280672 0.80 DAGLA (0.41) ATMTDP1L3MBTL1DAGLASIGMAR1
SCHEMBL4282566 0.79 DAGLA (0.62) DAGLACES1NCEH1
SCHEMBL2162419 0.76 FAAH (0.53) DAGLA
SCHEMBL2162404 0.75 DAGLA (0.73) DAGLACES1NCEH1
SCHEMBL4279402 0.74 CES1 (0.64) DAGLACES1NCEH1
SCHEMBL12064926 0.73 DAGLA (0.56) ATMTDP1L3MBTL1DAGLACES1
SCHEMBL7220481 0.72 L3MBTL1 (0.44) TDP1L3MBTL1
SCHEMBL8094527 0.71 SIGMAR1 (0.71) L3MBTL1SIGMAR1

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