SCHEMBL18151860

SCHEMBL18151860

C=C(C)C(=O)NCCC[N+](C)(C)CCCCCS(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.41
EPHX2 P34913 1/20 0.39
CBLB Q13191 6/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL16799559 1.00 BBOX1 (0.41) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL18151216 1.00 BBOX1 (0.41) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL18151638 1.00 BBOX1 (0.41) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL16799290 1.00 BBOX1 (0.41) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL18151434 1.00 BBOX1 (0.41) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL717860 0.99 BBOX1 (0.42) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL21545054 0.97 BBOX1 (0.45) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL18151769 0.94 BBOX1 (0.45) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL18151520 0.94 BBOX1 (0.45) BBOX1EPHX2CBLBKMT2AMEN1
SCHEMBL16799294 0.94 BBOX1 (0.45) BBOX1EPHX2CBLBKMT2AMEN1

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