SCHEMBL27742907

SCHEMBL27742907

CCC(=O)OCCS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
DGKA P23743 1/20 0.31

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
SCHEMBL24951907 0.76 NAAA (0.41) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL25923072 0.75 NAAA (0.48) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL13331043 0.75 NAAA (0.48) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL28245871 0.74 NAAA (0.47) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL12938394 0.72 NAAA (0.45) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL5396590 0.71 NAAA (0.48) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL50301 0.71 NAAA (0.64) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL28053061 0.71 NAAA (0.44) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL11917845 0.71 NAAA (0.35) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL18927364 0.69 NAAA (0.47) NAAAGAAHTTKDM4EALDH1A1

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
CN-101316829-A Oxadiazole derivatives having CRTH2 receptor activity 7TM PHARMA AS (DK) 2008-12-03 CN disclosed