SCHEMBL7641908

SCHEMBL7641908

CC1CN(CCO)CCN1CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
KCNH2 Q12809 2/20 0.41
KCNJ1 P48048 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 4/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
AGL P35573 1/20 0.34
OPRL1 P41146 3/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.33
GBA1 P04062 1/20 0.33
LCT P09848 1/20 0.33
SI P14410 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
LMNA P02545 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 0.90 MAPK1 (0.44) MAPK1KCNH2KCNJ1ALDH1A1SIGMAR1
SCHEMBL9801966 0.90 MAPK1 (0.47) MAPK1KCNH2KCNJ1KDM4EALDH1A1
SCHEMBL13550395 0.90 MAPK1 (0.44) MAPK1KCNH2KCNJ1SIGMAR1CYP2D6
SCHEMBL9801391 0.89 MAPK1 (0.50) MAPK1KCNH2KCNJ1KDM4EALDH1A1
SCHEMBL9801234 0.88 MAPK1 (0.49) MAPK1KCNH2KCNJ1KDM4EALDH1A1
SCHEMBL9801539 0.86 MAPK1 (0.48) MAPK1KCNH2KCNJ1KDM4EALDH1A1
SCHEMBL9801366 0.84 MAPK1 (0.41) MAPK1KCNH2KCNJ1ALDH1A1SIGMAR1
SCHEMBL9801048 0.82 MAPK1 (0.38) MAPK1KCNH2KCNJ1SIGMAR1OPRL1
SCHEMBL15312557 0.81 MAPK1 (0.53) MAPK1KCNH2KDM4EALDH1A1CYP2C19
SCHEMBL9939558 0.81 MAPK1 (0.53) MAPK1KCNH2KDM4EALDH1A1CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128421-A1 Curable compositions SHELVEY MICHAEL FRANCIS (GB) 2002-09-12 US claimed
US-7217447-B2 Ink-jet recording sheet FUJIFILM CORPORATION (JP) 2007-05-15 US disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed
US-4754036-A Conjoint production of C-methyl triethylene diamine and allyl piperazine TEXACO INC. (US) 1988-06-28 US disclosed
EP-0197613-A2 Water addition to enhance phosphoric acid salt catalyst activity UNION CARBIDE CORPORATION (US) 1986-10-15 EP disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 EP disclosed
US-4384871-A Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, INC. (JP) 1983-05-24 US disclosed
EP-0058430-A1 Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-08-25 EP disclosed
US-4092316-A Synthesis of C-alkyl-triethylenediamines TEXACO DEVELOPMENT CORPORATION (US) 1978-05-30 US disclosed