SCHEMBL14743251

SCHEMBL14743251

CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CC[N+](C)(C)CCCCCC[N+](C)(C)CC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.55
DNM1 Q05193 6/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.48
HSP90AA1 P07900 1/20 0.47
RAD52 P43351 1/20 0.47
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL14742775 1.00 BBOX1 (0.55) BBOX1DNM1HTTKMT2AHSP90AA1
SCHEMBL6243130 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
SCHEMBL1123347 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
SCHEMBL2904189 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
SCHEMBL6900640 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
Mecetronium SCHEMBL125030 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
SCHEMBL12760650 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
SCHEMBL608118 0.95 DNM1 (0.59) BBOX1DNM1HTTKMT2AHSP90AA1
Hydrochloric Acid SCHEMBL20496970 0.93 DNM1 (0.57) BBOX1DNM1HTTKMT2AHSP90AA1
Mecetronium SCHEMBL11855665 0.92 DNM1 (0.55) BBOX1DNM1HTTKMT2AHSP90AA1

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-2751308-B1 PROCESS FOR CATHODIC DEOXYGENATION OF AMIDES AND ESTERS Johannes Gutenberg-Universität Mainz (DE) 2017-03-22 EP disclosed
EP-2751308-A2 PROCESS FOR CATHODIC DEOXYGENATION OF AMIDES AND ESTERS Johannes Gutenberg-Universität Mainz (DE) 2014-07-09 EP disclosed
WO-2013030316-A2 PROCESS FOR CATHODIC DEOXYGENATION OF AMIDES AND ESTERS Johannes Gutenberg-Universität Mainz (DE) 2013-03-07 WO disclosed