SCHEMBL6202635

SCHEMBL6202635

CCCOC(=O)CCO[N]C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
BLM P54132 1/20 0.38
HTR2C P28335 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NAAA Q02083 1/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TOP2A P11388 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL3904302 0.81 NAAA (0.38) DGKAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL20589 0.79 DGKA (0.58) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL21618267 0.78 DGKA (0.52) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL125157 0.77
SCHEMBL8851174 0.77 DGKA (0.47) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL141329 0.76 DGKA (0.50) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL443342 0.76 DGKA (0.50) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL11321566 0.75 DGKA (0.45) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL19638 0.75 DGKA (0.67) DGKAADRA2AADRA1ADNM1ALDH1A1
SCHEMBL31355082 0.75 ALDH1A1 (0.55) DGKAADRA2AADRA1ADNM1ALDH1A1

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-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO disclosed