Sugi Predict

Sugi Predict / Compounds / SCHEMBL4284832

SCHEMBL4284832

SCHEMBL4284832

FC(F)(F)c1coc(CCCCCCCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.62
▸ DAGLA Q9Y4D2 6/20 0.62
▸ NCEH1 Q6PIU2 1/20 0.62
▸ FAAH O00519 5/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ SIGMAR1 Q99720 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) CES1DAGLANCEH1SIGMAR1
SCHEMBL2162446 0.78 FAAH (0.60) CES1DAGLANCEH1FAAHLTA4H
SCHEMBL2162583 0.77 DAGLA (1.00) CES1DAGLANCEH1FAAH
SCHEMBL4293552 0.76 DAGLA (0.72) CES1DAGLANCEH1FAAH
SCHEMBL4282566 0.75 DAGLA (0.62) CES1DAGLANCEH1
SCHEMBL4280672 0.73 DAGLA (0.41) CES1DAGLAFAAHSIGMAR1
SCHEMBL24665470 0.72 S1PR1 (0.37) CES1DAGLANCEH1
SCHEMBL4279402 0.71 CES1 (0.64) CES1DAGLANCEH1FAAH
SCHEMBL12064926 0.70 DAGLA (0.56) CES1DAGLA
SCHEMBL8094527 0.67 SIGMAR1 (0.71) SIGMAR1

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