SCHEMBL4192102

SCHEMBL4192102

O=C(O)CC1CN(CCO)CCO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DRD4 P21917 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PDK1 Q15118 2/20 0.33
SLC18A3 Q16572 1/20 0.33
CACNA1H O95180 1/20 0.32
MAPK1 P28482 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4190132 0.84 GLA (0.41) ALDH1A1KDM4EGLACYP1A2CYP2D6
SCHEMBL6545646 0.81 CCR2 (0.41) ALDH1A1KDM4EGLACYP1A2CYP2D6
SCHEMBL13337770 0.79 KDM4E (0.44) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12413985 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EGLACYP1A2CYP2D6
SCHEMBL23276967 0.77 CYP1A2 (0.41) GLACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4550200 0.77 CYP1A2 (0.41) GLACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6064721 0.77 KDM4E (0.42) ALDH1A1KDM4EDRD4DRD3PDK1
SCHEMBL6695515 0.77 KDM4E (0.42) ALDH1A1KDM4EDRD4DRD2DRD3
SCHEMBL4316173 0.74 DRD4 (0.66) CYP1A2CYP2D6CYP2C9DRD4DRD2
SCHEMBL18125944 0.74 PDK1 (0.42) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9

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