SCHEMBL16799285

SCHEMBL16799285

C=CC(=O)OCCCNC(=O)CCCCCN

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.51
SLC6A5 Q9Y345 2/20 0.49
HPGD P15428 1/20 0.44
HIF1A Q16665 3/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PAOX Q6QHF9 2/20 0.38
KDM4A O75164 1/20 0.37
TET2 Q6N021 1/20 0.37
DOHH Q9BU89 1/20 0.37
FAAH O00519 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL16798883 1.00 TSHR (0.51) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16799458 1.00 TSHR (0.51) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16799303 1.00 TSHR (0.51) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16799357 1.00 TSHR (0.51) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16799359 0.98 TSHR (0.49) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16799476 0.87 TSHR (0.53) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16798954 0.87 TSHR (0.53) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16798989 0.87 TSHR (0.53) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16798881 0.87 TSHR (0.53) TSHRALDH1A1CYP3A4SLC6A5HPGD
SCHEMBL16799306 0.85 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHIF1A

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