SCHEMBL9801737

SCHEMBL9801737

CCC1CN(CCO)CCN1CCCN

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9801496 0.92 SIGMAR1 (0.40) SIGMAR1L3MBTL1ALDH1A1
SCHEMBL9800988 0.90 MAPK1 (0.38) SIGMAR1L3MBTL1MAPK1ALDH1A1
SCHEMBL9801747 0.90 KEAP1 (0.37) SIGMAR1L3MBTL1
SCHEMBL9559582 0.87 SIGMAR1 (0.40) SIGMAR1L3MBTL1MAPK1ALDH1A1
SCHEMBL9801817 0.85 KEAP1 (0.36) SIGMAR1L3MBTL1
SCHEMBL9801533 0.84 SIGMAR1 (0.41) SIGMAR1L3MBTL1ALDH1A1
SCHEMBL9801762 0.84 SIGMAR1 (0.37) SIGMAR1L3MBTL1
SCHEMBL9801272 0.83 SIGMAR1 (0.42) SIGMAR1L3MBTL1MAPK1ALDH1A1
SCHEMBL9801706 0.83 SIGMAR1 (0.45) SIGMAR1L3MBTL1ALDH1A1
SCHEMBL9801104 0.82 SIGMAR1 (0.44) SIGMAR1L3MBTL1ALDH1A1

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