SCHEMBL16799463

SCHEMBL16799463

C=CC(=O)OCCCNC(=O)CCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.46
EPHX2 P34913 5/20 0.46
KDM4E B2RXH2 1/20 0.43
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PRMT1 Q99873 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
LMNA P02545 1/20 0.40
ADRA1A P35348 1/20 0.39
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL16799476 0.98 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDEPHX2
SCHEMBL16798881 0.98 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDEPHX2
SCHEMBL16798954 0.98 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDEPHX2
SCHEMBL16798989 0.98 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDEPHX2
SCHEMBL16799410 0.97 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDEPHX2
SCHEMBL16799359 0.86 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799299 0.86 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16425942 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799285 0.85 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDKDM4E
SCHEMBL16799009 0.85 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53

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