SCHEMBL7633571

SCHEMBL7633571

C=C(C)C(=O)NCCN(CC)CC.C=CC(=O)NCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 4/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFKB1 P19838 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
DNM1 Q05193 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
ACHE P22303 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL8040763 1.00 ZDHHC20 (0.40) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL8040748 0.93 ALDH1A1 (0.45) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL336776 0.92 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL7636012 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRMAPK1NFKB1
SCHEMBL8012770 0.90 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL7630928 0.89 ALDH1A1 (0.49) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL8034285 0.89 ALDH1A1 (0.49) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
Dimethylamine SCHEMBL2959688 0.86 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL10928630 0.86 ALDH1A1 (0.54) ZDHHC20ZDHHC2ALDH1A1KDM4ETSHR
SCHEMBL93180 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRMAPK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189755-A1 INKJET PRINTING MEDIA CONTAINING SUBSTANTIALLY WATER-INSOLUBLE PLASTICIZER Hewlett-Packard Company, A Delaware Corporation (US) 2002-03-27 EP disclosed
WO-2000071359-A1 INKJET PRINTING MEDIA CONTAINING SUBSTANTIALLY WATER-INSOLUBLE PLASTICIZER HEWLETT-PACKARD COMPANY (US) 2000-11-30 WO disclosed