SCHEMBL16799299

SCHEMBL16799299

C=CC(=O)OCCCNC(=O)CCCCS

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 7/20 0.37
HDAC1 Q13547 7/20 0.37
HDAC2 Q92769 7/20 0.37
HDAC10 Q969S8 7/20 0.37
HDAC11 Q96DB2 7/20 0.37
HDAC8 Q9BY41 7/20 0.37
HDAC6 Q9UBN7 7/20 0.37
HDAC4 P56524 6/20 0.37
HDAC7 Q8WUI4 6/20 0.37
HDAC9 Q9UKV0 6/20 0.37
HDAC5 Q9UQL6 6/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL16798928 0.98 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799365 0.98 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799009 0.98 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799040 0.98 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799306 0.98 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799463 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16798881 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799476 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16798989 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16799359 0.85 TSHR (0.49) 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