SCHEMBL7629628

SCHEMBL7629628

C=CC(=O)NCCCN(C)C.C=CC(=O)NCCCN(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
KDM4E B2RXH2 5/20 0.48
DNM1 Q05193 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAOX Q6QHF9 1/20 0.41
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.37

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
SCHEMBL109564 0.93 ALDH1A1 (0.65) ALDH1A1ZDHHC20ZDHHC2KDM4ETSHR
Hydrochloric Acid SCHEMBL29008140 0.92 ALDH1A1 (0.63) ALDH1A1ZDHHC20ZDHHC2KDM4ETSHR
SCHEMBL8034285 0.90 ALDH1A1 (0.49) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
SCHEMBL7630928 0.90 ALDH1A1 (0.49) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
Chloromethane SCHEMBL2877103 0.90 ALDH1A1 (0.61) ALDH1A1ZDHHC20ZDHHC2KDM4EHTT
SCHEMBL21611 0.90 ZDHHC20 (0.58) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
SCHEMBL27790589 0.90 ZDHHC20 (0.58) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
Trimethylammonium SCHEMBL8072751 0.89 ALDH1A1 (0.56) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1
SCHEMBL110266 0.88 ZDHHC20 (0.62) ALDH1A1ZDHHC20ZDHHC2KDM4ETSHR
Hydrochloric Acid SCHEMBL131505 0.88 ZDHHC20 (0.56) ALDH1A1ZDHHC20ZDHHC2KDM4EDNM1

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