SCHEMBL16799374

SCHEMBL16799374

C=CC(=O)OCCCC[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 1/20 0.47
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.35
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
BBOX1 O75936 2/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16798997 0.99 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799080 0.99 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL15390901 0.99 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799088 0.99 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799000 0.99 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL28062412 0.96 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL15389563 0.96 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL35504 0.95 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL15389828 0.94 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
Water SCHEMBL15389728 0.94 TSHR (0.53) 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