SCHEMBL9801740

SCHEMBL9801740

CCC1CN(CCCN)CCN1CC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 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
SCHEMBL9801747 0.91 KEAP1 (0.37) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801817 0.90 KEAP1 (0.36) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801178 0.89 ALOX15 (0.43) SIGMAR1ALOX15
SCHEMBL9801762 0.88 SIGMAR1 (0.37) KEAP1SMN1; SMN2SIGMAR1CYP2D6L3MBTL1
SCHEMBL9801496 0.84 SIGMAR1 (0.40) KEAP1SMN1; SMN2SIGMAR1L3MBTL1
SCHEMBL9801005 0.83 L3MBTL1 (0.34) KEAP1SMN1; SMN2SIGMAR1L3MBTL1
SCHEMBL9801615 0.83 SIGMAR1 (0.44) SIGMAR1L3MBTL1
SCHEMBL9801794 0.82 KEAP1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801737 0.82 SIGMAR1 (0.39) SIGMAR1L3MBTL1
SCHEMBL9801669 0.82 SIGMAR1 (0.35) SIGMAR1

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