SCHEMBL9801366

SCHEMBL9801366

CC1CN(CCCO)CCN1CCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR5 P51681 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
SCHEMBL9801872 0.94 MAPK1 (0.44) MAPK1KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL9801172 0.92 MAPK1 (0.40) MAPK1KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL9801364 0.91 SIGMAR1 (0.41) MAPK1KCNJ1KCNH2SIGMAR1L3MBTL1
SCHEMBL9801474 0.90 MAPK1 (0.41) MAPK1KCNJ1KCNH2SIGMAR1ALDH1A1
SCHEMBL9801553 0.89 SIGMAR1 (0.46) MAPK1KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL7641908 0.84 MAPK1 (0.51) MAPK1KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL9802128 0.82 MAPK1 (0.42) MAPK1SIGMAR1OPRM1MEN1KMT2A
SCHEMBL9801539 0.82 MAPK1 (0.48) MAPK1KCNJ1KCNH2SIGMAR1CYP2D6
SCHEMBL9801633 0.82 MAPK1 (0.35) MAPK1KCNJ1KCNH2SIGMAR1ALDH1A1
SCHEMBL9801649 0.81 KEAP1 (0.39) MAPK1KCNJ1KCNH2SIGMAR1CYP2D6

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