SCHEMBL4282710

SCHEMBL4282710

O=CCc1coc(C(O)CCCCCCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.51
DAGLA Q9Y4D2 4/20 0.43
TRPA1 O75762 1/20 0.40
CES1 P23141 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
SCHEMBL2162511 0.82 DAGLA (0.59) FAAHDAGLATRPA1CES1
SCHEMBL2163384 0.78 FAAH (0.53) FAAHDAGLATRPA1CES1
SCHEMBL2163273 0.78 DAGLA (0.55) FAAHDAGLATRPA1CES1
SCHEMBL2162797 0.78 DAGLA (0.55) FAAHDAGLATRPA1CES1
SCHEMBL2162419 0.78 FAAH (0.53) FAAHDAGLATRPA1
SCHEMBL2162406 0.77 DAGLA (0.57) FAAHDAGLACES1
SCHEMBL2164108 0.77 DAGLA (0.61) FAAHDAGLACES1
SCHEMBL2162446 0.75 FAAH (0.60) FAAHDAGLACES1
SCHEMBL2163263 0.75 FAAH (0.50) FAAHDAGLATRPA1
SCHEMBL2164090 0.75 FAAH (0.53) FAAHDAGLACES1

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