SCHEMBL16799301

SCHEMBL16799301

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ADRA1A P35348 1/20 0.45
EPHX2 P34913 5/20 0.44
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
HPGD P15428 1/20 0.40
PRMT1 Q99873 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL16799013 0.98 TSHR (0.49) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL16799404 0.98 TSHR (0.49) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL16798845 0.98 TSHR (0.49) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL16799490 0.98 TSHR (0.49) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL16798998 0.97 TSHR (0.51) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL22939772 0.95 TSHR (0.49) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL16309297 0.94 TSHR (0.53) TSHRKDM4ETHRBMEN1KMT2A
SCHEMBL16309329 0.91 TSHR (0.58) TSHRKDM4ETHRBMEN1KMT2A
SCHEMBL8438170 0.89 TSHR (0.45) TSHRADRA1AEPHX2KDM4ETHRB
SCHEMBL16309326 0.89 TSHR (0.53) TSHRKDM4ETHRBMEN1KMT2A

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