SCHEMBL9801679

SCHEMBL9801679

CC1CN(CCCN)CCO1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM1A O60341 1/20 0.44
DRD1 P21728 1/20 0.40
PDK1 Q15118 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
EBP Q15125 1/20 0.38
DRD3 P35462 5/20 0.33
ADORA2A P29274 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL14613087 1.00 KEAP1 (0.52) KEAP1SMN1; SMN2KDM1ADRD1PDK1
SCHEMBL17277324 0.95 KEAP1 (0.46) KEAP1SMN1; SMN2KDM1ADRD1PDK1
SCHEMBL9801367 0.89 KDM1A (0.47) KEAP1SMN1; SMN2KDM1ADRD1PDK1
SCHEMBL22317837 0.87 SMN1; SMN2 (0.40) KEAP1SMN1; SMN2KDM1ADRD1PDK1
Hydrochloric Acid SCHEMBL17273299 0.87 KDM1A (0.46) KEAP1SMN1; SMN2KDM1ADRD1PDK1
SCHEMBL14027741 0.83 SIGMAR1 (0.52) KDM1ADRD1PDK1SIGMAR1EBP
SCHEMBL22463774 0.83 SIGMAR1 (0.52) KDM1ADRD1PDK1SIGMAR1EBP
SCHEMBL1579909 0.83 KEAP1 (0.53) KEAP1SMN1; SMN2KDM1ADRD1SIGMAR1
SCHEMBL29645051 0.83 SIGMAR1 (0.52) KDM1ADRD1PDK1SIGMAR1EBP
SCHEMBL6043570 0.81 KDM1A (0.44) KEAP1SMN1; SMN2KDM1ADRD1PDK1

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
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed