SCHEMBL9801186

SCHEMBL9801186

CC1(C)CN(CCCN)CCN1CCCN

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.41
KEAP1 Q14145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.34
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL9801478 0.94 KEAP1 (0.38) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801595 0.92 SLC29A1 (0.40) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801739 0.91 SLC29A1 (0.36) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9800998 0.90 SLC29A1 (0.38) SLC29A1KEAP1SMN1; SMN2ALOX15
SCHEMBL9801699 0.89 KEAP1 (0.37) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801620 0.84 ALOX15 (0.48) SLC29A1SIGMAR1ALOX15ACE2
SCHEMBL9802131 0.83 KEAP1 (0.33) SLC29A1KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9801943 0.82 KEAP1 (0.41) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801616 0.82 SLC29A1 (0.38) SLC29A1ALOX15
SCHEMBL9801197 0.82 SLC29A1 (0.34) SLC29A1

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