SCHEMBL5014917

SCHEMBL5014917

CC(C)(N)CCN(CCO)CCC(C)(C)N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
GRM4 Q14833 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5965815 1.00 ARG1 (0.36) ARG1ARG2GRM4MAPTHPGD
SCHEMBL969629 0.87 GRM4 (0.36) GRM4
Trolamine SCHEMBL28825126 0.86 ARG1 (0.34) ARG1ARG2GRM4MAPTHPGD
Trolamine SCHEMBL4518758 0.84 MAPT (0.36) ARG1ARG2MAPTHPGDMAPK1
Trolamine SCHEMBL28164611 0.79 MAPT (0.36) ARG1ARG2MAPTHPGDMAPK1
SCHEMBL8949497 0.79 MAPT (0.36) ARG1ARG2MAPTHPGDMAPK1
SCHEMBL2509365 0.78 GRM4 (0.38) ARG1ARG2GRM4MAPT
SCHEMBL24818046 0.77 LCK (0.33) GRM4
SCHEMBL7103711 0.77 MAPT (0.35) ARG1ARG2MAPTHPGDMAPK1
SCHEMBL21909842 0.77 DRD2 (0.32) GRM4

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
US-7427648-B2 Hydrophilic siloxane copolymers and process for the preparation thereof WACKER CHEMIE AG (DE) 2008-09-23 US disclosed
US-20050272862-A1 Hydrophilic siloxane copolymers and process for the preparation thereof WACKER-CHEMIE GMBH (DE) 2005-12-08 US disclosed