SCHEMBL9801496

SCHEMBL9801496

CCC1CN(CCCO)CCN1CCCN

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9801533 0.92 SIGMAR1 (0.41) SIGMAR1L3MBTL1ALDH1A1HTTMEN1
SCHEMBL9801737 0.92 SIGMAR1 (0.39) SIGMAR1L3MBTL1ALDH1A1
SCHEMBL9801747 0.92 KEAP1 (0.37) SIGMAR1L3MBTL1KEAP1SMN1; SMN2
SCHEMBL9801706 0.92 SIGMAR1 (0.45) SIGMAR1L3MBTL1ALDH1A1HTTMEN1
SCHEMBL9801104 0.87 SIGMAR1 (0.44) SIGMAR1L3MBTL1ALDH1A1HTTMEN1
SCHEMBL9801817 0.87 KEAP1 (0.36) SIGMAR1L3MBTL1KEAP1SMN1; SMN2
SCHEMBL9801612 0.86 SIGMAR1 (0.46) SIGMAR1L3MBTL1ALDH1A1HTTMEN1
SCHEMBL9801762 0.86 SIGMAR1 (0.37) SIGMAR1L3MBTL1KEAP1SMN1; SMN2
SCHEMBL9801615 0.84 SIGMAR1 (0.44) SIGMAR1L3MBTL1ALDH1A1HTTMEN1
SCHEMBL9801740 0.84 KEAP1 (0.36) SIGMAR1L3MBTL1KEAP1SMN1; SMN2

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