SCHEMBL433400

SCHEMBL433400

CCCCCCCCCCCCCC(=O)COS(=O)(=O)[O-].CC[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
RECQL P46063 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
HAO1 Q9UJM8 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ENPP2 Q13822 2/20 0.38
SLC25A20 O43772 3/20 0.38
TP53 P04637 2/20 0.38
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL432423 1.00 TSHR (0.46) TSHRRECQLGLAHPGDMAPK1
SCHEMBL432073 1.00 TSHR (0.46) TSHRRECQLGLAHPGDMAPK1
SCHEMBL28866657 0.90 TSHR (0.56) TSHRRECQLGLAHPGDMAPK1
SCHEMBL28866655 0.90 TSHR (0.56) TSHRRECQLGLAHPGDMAPK1
SCHEMBL29396249 0.90 TSHR (0.56) TSHRRECQLGLAHPGDMAPK1
SCHEMBL6117756 0.76 KMT2A (0.48) TSHRCES2CES1HAO1MAPT
SCHEMBL28922059 0.76 KMT2A (0.48) TSHRCES2CES1HAO1MAPT
SCHEMBL29399044 0.76 RECQL (0.70) TSHRRECQLGLAHPGDMAPK1
SCHEMBL29398892 0.76 RECQL (0.76) TSHRRECQLGLAHPGDMAPK1
SCHEMBL29398542 0.76 RECQL (0.76) TSHRRECQLGLAHPGDMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596050-B1 EMULSIONS OF AMINOFUNCTIONAL SILICONES DOW SILICONES CORP (US) 2018-11-14 EP disclosed
EP-3004219-B1 PROCESS FOR PREPARING AMINOFUNCTIONAL SILICONE EMULSIONS DOW CORNING (US) 2018-04-04 EP disclosed
EP-3004219-A1 PROCESS FOR PREPARING AMINOFUNCTIONAL SILICONE EMULSIONS Dow Corning Corporation (US) 2016-04-13 EP disclosed
US-20160038403-A1 Process For Preparing Aminofunctional Silicone Emulsions DOW COMING CORPORATION (US) 2016-02-11 US disclosed
US-9017650-B2 Emulsions of aminofunctional silicones DOW CORNING CORPORATION (US) 2015-04-28 US disclosed
WO-2014193636-A1 PROCESS FOR PREPARING AMINOFUNCTIONAL SILICONE EMULSIONS DOW CORNING CORPORATION (US) 2014-12-04 WO disclosed
EP-2596050-A1 EMULSIONS OF AMINOFUNCTIONAL SILICONES Dow Corning Corporation (US) 2013-05-29 EP disclosed
US-20130121949-A1 Emulsions Of Aminofunctional Silicones DOW CORNING CORPORATION (US) 2013-05-16 US disclosed
WO-2012012524-A1 EMULSIONS OF AMINOFUNCTIONAL SILICONES DOW CORNING CORPORATION (US) 2012-01-26 WO disclosed