SCHEMBL9801474

SCHEMBL9801474

CC1CN(CCCO)CCN1CCN

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9801172 0.92 MAPK1 (0.40) MAPK1KCNJ1KCNH2SIGMAR1OPRM1
SCHEMBL9801391 0.90 MAPK1 (0.50) MAPK1KCNJ1KCNH2SIGMAR1ALOX15
SCHEMBL9801366 0.90 MAPK1 (0.41) MAPK1KCNJ1KCNH2SIGMAR1OPRM1
SCHEMBL9801872 0.88 MAPK1 (0.44) MAPK1KCNJ1KCNH2SIGMAR1OPRM1
SCHEMBL9801120 0.88 KCNJ1 (0.38) MAPK1KCNJ1KCNH2SIGMAR1ALOX15
SCHEMBL18912885 0.86 ALOX15 (0.48) MAPK1KCNJ1KCNH2SIGMAR1ALOX15
SCHEMBL8736521 0.86 ALOX15 (0.48) MAPK1KCNJ1KCNH2SIGMAR1ALOX15
SCHEMBL9801364 0.85 SIGMAR1 (0.41) MAPK1KCNJ1KCNH2SIGMAR1L3MBTL1
SCHEMBL9801539 0.83 MAPK1 (0.48) MAPK1KCNJ1KCNH2SIGMAR1OPRM1
SCHEMBL9801553 0.83 SIGMAR1 (0.46) MAPK1KCNJ1KCNH2SIGMAR1ALDH1A1

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