SCHEMBL1419799

SCHEMBL1419799

CC1(C(=O)OC(=O)Cc2cccc(OCc3ccc4ccccc4n3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.64
CYSLTR1 Q9Y271 13/20 0.59
GPBAR1 Q8TDU6 3/20 0.59
CYSLTR2 Q9NS75 9/20 0.56

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
SCHEMBL9053379 0.84 ALOX5 (0.72) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL9053241 0.81 CYSLTR1 (0.73) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10692276 0.78 ALOX5 (1.00) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL10696181 0.78 ALOX5 (0.69) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL7808132 0.76 ALOX5 (0.63) ALOX5CYSLTR1
SCHEMBL7458734 0.76 CYSLTR1 (0.68) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL4848317 0.75 CYSLTR1 (1.00) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL8321128 0.75 CYSLTR1 (0.76) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL30443879 0.75 CYSLTR1 (1.00) ALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL14021757 0.75 CYSLTR1 (0.82) ALOX5CYSLTR1GPBAR1CYSLTR2

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
EP-2297133-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed