SCHEMBL4540758

SCHEMBL4540758

C=CC(=O)NCCC[N+](C)(C)C.C=COC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
TGM2 P21980 2/20 0.35
CBLB Q13191 6/20 0.35
ACHE P22303 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 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
SCHEMBL192702 0.87 ZDHHC20 (0.58) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Water SCHEMBL2355003 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL3405400 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL127417 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Iodide SCHEMBL2254575 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Iodide SCHEMBL17105877 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Bromide SCHEMBL475865 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL26669425 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Fluoride Ion SCHEMBL17105892 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMALDH1A1
Acetic Acid SCHEMBL475885 0.84 ZDHHC20 (0.51) ZDHHC20ZDHHC2KMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533349-B1 Ink jet recording method and ink jet image FUJIFILM CORP (JP) 2009-09-30 EP disclosed
US-7500743-B2 Ink jet recording method and ink jet image FUJIFILM CORPORATION (JP) 2009-03-10 US disclosed
US-20050128268-A1 Ink jet recording method and ink jet image FUJI PHOTO FILM CO., LTD. 2005-06-16 US disclosed
EP-1533349-A2 Ink jet recording method and ink jet image Fuji Photo Film Co., Ltd. (JP) 2005-05-25 EP disclosed