SCHEMBL6443019

SCHEMBL6443019

CC(O)CN1CC(C)OC1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.34
MAPK1 P28482 1/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 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
SCHEMBL6448012 0.81 PDK1 (0.32) PDK1MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL6445093 0.79 PDK1 (0.32) PDK1MAPK1EBPSIGMAR1
SCHEMBL6441078 0.77 EBP (0.32) PDK1EBPSIGMAR1
SCHEMBL8421032 0.75 MAPK1 (0.47) PDK1MAPK1EBPSIGMAR1KDM4E
SCHEMBL8421034 0.75 MAPK1 (0.47) PDK1MAPK1EBPSIGMAR1KDM4E
SCHEMBL8421030 0.75 MAPK1 (0.47) PDK1MAPK1EBPSIGMAR1KDM4E
SCHEMBL7095116 0.73
SCHEMBL6444619 0.72 ALDH1A1 (0.41) MAPK1KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL20226892 0.72
SCHEMBL8679805 0.72 SMN1; SMN2 (0.34) SIGMAR1DRD3KCNH2SMN1; SMN2PIK3CD

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-1537158-B1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF SE (DE) 2013-04-24 EP disclosed
US-20050244652-A1 Radiation curable polyurethanes with capped amino groups BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed