SCHEMBL5586517

SCHEMBL5586517

CCOC(=O)C(C(=O)OCC)c1c(C)nn(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP8 P22894 1/20 0.34
PDE4D Q08499 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33
MAPK1 P28482 1/20 0.33
CLK1 P49759 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
SCHEMBL4805249 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL20592993 0.73 ALDH1A1 (0.36) ALDH1A1NPSR1KDM4EL3MBTL1GAA
SCHEMBL8784515 0.71 PDE4D (0.56) ALDH1A1NPSR1KDM4EL3MBTL1GAA
SCHEMBL3322964 0.69 KDM4E (0.52) ALDH1A1NPSR1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL7378485 0.68 KDM4E (0.44) ALDH1A1NPSR1KDM4EL3MBTL1GAA
SCHEMBL7381336 0.67 KDM4E (0.37) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL7381333 0.67 KDM4E (0.37) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL19003644 0.67 KDM4E (0.34) ALDH1A1KDM4EL3MBTL1GAASMN1; SMN2
SCHEMBL7412862 0.67 KDM4E (0.42) ALDH1A1NPSR1KDM4EGAASMN1; SMN2
SCHEMBL2757601 0.66 KDM5B (0.38) ALDH1A1KDM4EGAASMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007526892-A 2007-09-20 JP claimed
EP-1648898-A1 HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS Bayer CropScience AG (DE) 2006-04-26 EP claimed
WO-2005005428-A1 HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-20 WO claimed
EP-1648898-A1 HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS Bayer CropScience AG (DE) 2006-04-26 EP disclosed
WO-2005005428-A1 HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-20 WO disclosed