SCHEMBL16798941

SCHEMBL16798941

C=CC(=O)NCCCCCCC[N+](C)(C)CCCC(=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 9/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
CBLB Q13191 5/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TGM2 P21980 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL16798902 1.00 BBOX1 (0.54) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16799356 1.00 BBOX1 (0.54) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16799248 1.00 BBOX1 (0.54) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16798892 0.98 BBOX1 (0.55) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16798984 0.94 BBOX1 (0.50) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16799337 0.94 BBOX1 (0.50) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16798894 0.94 BBOX1 (0.50) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16799077 0.94 BBOX1 (0.50) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16799241 0.94 BBOX1 (0.50) BBOX1ZDHHC20ZDHHC2CBLBKMT2A
SCHEMBL16798841 0.94 BBOX1 (0.57) BBOX1ZDHHC20ZDHHC2CBLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077476-B1 NANOCRYSTALS COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2020-02-12 EP disclosed
US-10465030-B2 Nanoparticles complexed with functionalizable enhanced affinity ligands and use thereof NEXDOT (FR) 2019-11-05 US disclosed
US-20160304648-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2016-10-20 US disclosed
EP-3077476-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF Nexdot (FR) 2016-10-12 EP disclosed
WO-2015082656-A1 NANOPARTICLES COMPLEXED WITH FUNCTIONALIZABLE ENHANCED AFFINITY LIGANDS AND USE THEREOF NEXDOT (FR) 2015-06-11 WO disclosed