SCHEMBL9801943

SCHEMBL9801943

CN1CCN(CCCN)CC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL9802015 0.88 ALOX15 (0.50) SIGMAR1ALOX15ACE2
SCHEMBL9801186 0.82 SLC29A1 (0.41) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801478 0.81 KEAP1 (0.38) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801159 0.80 TSHR (0.33)
SCHEMBL9801699 0.79 KEAP1 (0.37) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801739 0.78 SLC29A1 (0.36) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801515 0.77 DRD2 (0.34) SIGMAR1
SCHEMBL9801595 0.75 SLC29A1 (0.40) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL9801148 0.75 ALDH1A1 (0.39) CYP2D6HSD17B10
SCHEMBL9802131 0.74 KEAP1 (0.33) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10

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