SCHEMBL16799404

SCHEMBL16799404

C=C(C)C(=O)OCCCNC(=O)CCCCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ADRA1A P35348 1/20 0.47
EPHX2 P34913 5/20 0.47
KDM4E B2RXH2 1/20 0.44
PRMT1 Q99873 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 3/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL16798845 1.00 TSHR (0.49) TSHRADRA1AEPHX2KDM4EPRMT1
SCHEMBL16799490 1.00 TSHR (0.49) TSHRADRA1AEPHX2KDM4EPRMT1
SCHEMBL16799013 1.00 TSHR (0.49) TSHRADRA1AEPHX2KDM4EPRMT1
SCHEMBL16799301 0.98 TSHR (0.47) TSHRADRA1AEPHX2KDM4EPRMT1
SCHEMBL16798998 0.95 TSHR (0.51) TSHRADRA1AEPHX2KDM4EPOLB
SCHEMBL22939772 0.94 TSHR (0.49) TSHRADRA1AEPHX2KDM4EPRMT1
SCHEMBL16309297 0.92 TSHR (0.53) TSHRKDM4EPOLBAPEX1HTT
SCHEMBL16309329 0.89 TSHR (0.58) TSHRKDM4EPOLBAPEX1HTT
SCHEMBL8438170 0.88 TSHR (0.45) TSHRADRA1AEPHX2KDM4EPOLB
SCHEMBL16309326 0.88 TSHR (0.53) TSHRKDM4EPOLBAPEX1HTT

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