SCHEMBL13638967

SCHEMBL13638967

CC1OC(c2coc(N3CCC(O)CC3)n2)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
ALOX5AP P20292 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 2/20 0.31
FGFR1 P11362 1/20 0.31
SMO Q99835 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PIM1 P11309 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
SCHEMBL13638795 0.92 IRAK4 (0.35) GPR119ALOX5APIRAK4PIM1
SCHEMBL13638797 0.87
SCHEMBL13162780 0.85
SCHEMBL13162782 0.85 ITGB2 (0.31)
SCHEMBL13162324 0.82 AR (0.35) KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL13162786 0.82 EGFR (0.31)
SCHEMBL13162781 0.82 CHRM3 (0.31)
SCHEMBL13638964 0.79 AOC3 (0.33)
SCHEMBL13162801 0.78 GPR119 (0.34) GPR119
SCHEMBL13162326 0.77 OGA (0.34)

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed