SCHEMBL4280672

SCHEMBL4280672

CSc1coc(CCCCCCCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 0.41
FAAH O00519 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
CES1 P23141 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4285196 0.80 ATM (0.44) DAGLASIGMAR1CES1ATMTDP1
SCHEMBL2163263 0.78 FAAH (0.50) DAGLAFAAH
SCHEMBL2162630 0.77 DAGLA (0.68) DAGLACES1
SCHEMBL4282566 0.75 DAGLA (0.62) DAGLACES1
SCHEMBL4284832 0.73 CES1 (0.62) DAGLAFAAHSIGMAR1CES1
SCHEMBL4279402 0.71 CES1 (0.64) DAGLAFAAHCES1
SCHEMBL12064926 0.70 DAGLA (0.56) DAGLACES1ATMTDP1L3MBTL1
SCHEMBL8095284 0.67 SIGMAR1 (0.71) SIGMAR1L3MBTL1
SCHEMBL8085946 0.67 SIGMAR1 (0.71) SIGMAR1L3MBTL1
SCHEMBL6546948 0.67 SIGMAR1 (0.71) SIGMAR1L3MBTL1

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 claimed