SCHEMBL13954136

SCHEMBL13954136

C=C(O/C=C(\N)c1nc(-c2nc(C(=O)OC)co2)co1)c1coc(-c2cocn2)n1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL13954164 0.89
SCHEMBL10025444 0.80 HDAC1 (0.36) DAGLA
SCHEMBL10025448 0.80 HDAC1 (0.36) DAGLA
SCHEMBL10025445 0.80 HDAC1 (0.36) DAGLA
SCHEMBL13953929 0.80 DAGLA (0.31) DAGLA
SCHEMBL2467189 0.79 HDAC1 (0.39) DAGLA
SCHEMBL13953928 0.73 TRPA1 (0.33)
SCHEMBL14392120 0.69 ALDH1A1 (0.31)
SCHEMBL12299190 0.68 GPR119 (0.34)
SCHEMBL10025450 0.66 ALDH1A1 (0.36)

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-2009018551-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 WO disclosed