SCHEMBL18151644

SCHEMBL18151644

C=CC(=O)OCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
BBOX1 O75936 3/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16799079 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16798995 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16799087 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16798999 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16799372 0.99 TSHR (0.50) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16799249 0.94 TSHR (0.49) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL18151515 0.94 TSHR (0.49) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16799361 0.94 TSHR (0.49) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16798967 0.94 TSHR (0.49) TSHRALDH1A1CYP3A4BBOX1HPGD
SCHEMBL16798842 0.94 TSHR (0.49) TSHRALDH1A1CYP3A4BBOX1HPGD

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 3 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