SCHEMBL7629624

SCHEMBL7629624

C=CC(=O)NC(CC)N(C)C.C=CC(=O)NC(CC)N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL3285064 0.93 TSHR (0.47) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL29008141 0.91 TSHR (0.45) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL424692 0.91 TSHR (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL7630925 0.90 TSHR (0.34) TSHR
SCHEMBL8034283 0.90 TSHR (0.34) TSHR
Hydrochloric Acid SCHEMBL5487753 0.90 TSHR (0.47) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL10628352 0.81 TSHR (0.39) TSHRZDHHC20ZDHHC2
SCHEMBL21409731 0.79 TSHR (0.44) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL8040743 0.79 TSHR (0.36) TSHR
SCHEMBL902178 0.78 TSHR (0.37) TSHRZDHHC20ZDHHC2

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