SCHEMBL6444609

SCHEMBL6444609

CC1CN(CCCO)C(C(C)C)O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDK1 Q15118 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL6441562 0.89 PDK1 (0.32) EBPSIGMAR1PDK1GBA1
SCHEMBL6444373 0.78 EBP (0.36) EBPSIGMAR1PDK1
SCHEMBL21480029 0.76 EBP (0.33) EBPSIGMAR1PDK1
SCHEMBL6448012 0.75 PDK1 (0.32) PDK1
SCHEMBL6441865 0.74 EBP (0.37) EBPSIGMAR1PDK1GBA1
SCHEMBL6442081 0.71 EBP (0.39) EBPSIGMAR1GBA1
SCHEMBL6441658 0.70 GBA1 (0.31) PDK1GBA1
SCHEMBL1469874 0.70 SIGMAR1 (0.62) EBPSIGMAR1PDK1
SCHEMBL1469872 0.70 SIGMAR1 (0.62) EBPSIGMAR1PDK1
SCHEMBL22360748 0.68 DRD2 (0.32) SIGMAR1GBA1

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 4 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
EP-1537158-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-06-08 EP disclosed
WO-2004022621-A1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-18 WO disclosed