SCHEMBL9801128

SCHEMBL9801128

CC(O)CCN1CCN(CCCN)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KEAP1 Q14145 1/20 0.47
ALOX15 P16050 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL9801327 0.87 ALOX15 (0.59) SMN1; SMN2ALOX15SIGMAR1ACE2HRH3
SCHEMBL9801386 0.86 KEAP1 (0.45) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL9319178 0.84 HRH3 (0.38) SMN1; SMN2ALOX15HRH3TP53
SCHEMBL991903 0.83 KEAP1 (0.47) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL19840405 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL101501 0.79 KEAP1 (0.67) SMN1; SMN2KEAP1ALOX15SIGMAR1CYP2D6
SCHEMBL1616800 0.79
SCHEMBL24319340 0.78 GAA (0.41) SMN1; SMN2SIGMAR1HRH3TP53
SCHEMBL25304200 0.78 GAA (0.41) SMN1; SMN2SIGMAR1HRH3TP53
SCHEMBL9801142 0.78 GAA (0.41) SMN1; SMN2SIGMAR1HRH3TP53

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