SCHEMBL1579909

SCHEMBL1579909

NCCCN1CCOC(N)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM1A O60341 1/20 0.31
DRD3 P35462 2/20 0.30
DRD1 P21728 1/20 0.30
ALOX15 P16050 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
SCHEMBL14613087 0.83 KEAP1 (0.52) KEAP1SMN1; SMN2SIGMAR1CYP2D6KDM1A
SCHEMBL9801679 0.83 KEAP1 (0.52) KEAP1SMN1; SMN2SIGMAR1CYP2D6KDM1A
SCHEMBL19336006 0.79 KEAP1 (0.52) KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL10674628 0.78 DRD3 (0.47) DRD3DRD1
SCHEMBL17277324 0.78 KEAP1 (0.46) KEAP1SMN1; SMN2SIGMAR1KDM1ADRD3
SCHEMBL9801730 0.77 KEAP1 (0.48) KEAP1SMN1; SMN2DRD3
SCHEMBL4000536 0.74
SCHEMBL4804017 0.73 KEAP1 (0.44) KEAP1SMN1; SMN2CYP2D6
SCHEMBL4805342 0.73 KEAP1 (0.44) KEAP1SMN1; SMN2CYP2D6
SCHEMBL22317837 0.72 SMN1; SMN2 (0.40) KEAP1SMN1; SMN2SIGMAR1KDM1ADRD1

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-2310425-A1 NOVEL COPOLYMERS AND LUBRICATING COMPOSITIONS THEREOF The Lubrizol Corporation (US) 2011-04-20 EP disclosed
WO-2010014655-A1 NOVEL COPOLYMERS AND LUBRICATING COMPOSITIONS THEREOF THE LUBRIZOL CORPORATION (US) 2010-02-04 WO disclosed