SCHEMBL4190132

SCHEMBL4190132

O=C(O)CCC1CN(CCO)CCO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
DRD4 P21917 8/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
CACNA1H O95180 1/20 0.31
SLC18A3 Q16572 1/20 0.31
PDK1 Q15118 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
SCHEMBL20750562 0.86 DRD3 (0.43) GLADRD4DRD2DRD3CYP1A2
SCHEMBL4192102 0.84 ALDH1A1 (0.39) GLADRD4ALDH1A1KDM4EDRD2
SCHEMBL13337770 0.83 KDM4E (0.44) DRD4ALDH1A1KDM4EDRD2DRD3
SCHEMBL18531912 0.83 CCR2 (0.40) GLADRD4ALDH1A1KDM4EDRD2
SCHEMBL16769870 0.79 ACKR3 (0.39) GLADRD4ALDH1A1DRD2DRD3
SCHEMBL17485483 0.79 ACKR3 (0.39) GLADRD4ALDH1A1DRD2DRD3
SCHEMBL16775646 0.79 ACKR3 (0.39) GLADRD4ALDH1A1DRD2DRD3
SCHEMBL6695515 0.78 KDM4E (0.42) DRD4ALDH1A1KDM4EDRD2DRD3
SCHEMBL500411 0.78 GLA (0.45) GLADRD4ALDH1A1DRD2DRD3
SCHEMBL499961 0.78 GLA (0.45) GLADRD4ALDH1A1KDM4EDRD2

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
EP-1264212-B1 ELEMENTS FOR FORMING PRINT-OUT IMAGES DU PONT (US) 2009-02-18 EP claimed