SCHEMBL3883692

SCHEMBL3883692

CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
WDR5 P61964 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.36
TSHR P16473 3/20 0.35
ABCB1 P08183 2/20 0.35
ABCC1 P33527 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
S1PR3 Q99500 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7047137 0.90 PTGDR2 (0.38) SLC2A1ALDH1A1GAAL3MBTL1TDP1
SCHEMBL29429149 0.87 CNR1 (0.45) SLC2A1GAAL3MBTL1TDP1CNR1
SCHEMBL106524 0.87 CNR1 (0.45) SLC2A1GAAL3MBTL1TDP1CNR1
Trifluoromethanesulfonic Acid SCHEMBL29354733 0.87 SLC2A1 (0.42) SLC2A1ALDH1A1GAAL3MBTL1TDP1
Trifluoromethanesulfonic Acid SCHEMBL36280 0.87 SLC2A1 (0.42) SLC2A1ALDH1A1GAAL3MBTL1TDP1
SCHEMBL3872543 0.86 SLC2A1 (0.40) SLC2A1ALDH1A1GAAL3MBTL1TDP1
SCHEMBL5866191 0.86 SLC2A1 (0.43) SLC2A1ALDH1A1GAAL3MBTL1TDP1
Bromide SCHEMBL2194103 0.86 CNR1 (0.44) SLC2A1GAAL3MBTL1TDP1CNR1
Hydrochloric Acid SCHEMBL31108778 0.86 CNR1 (0.44) SLC2A1GAAL3MBTL1TDP1CNR1
SCHEMBL3454520 0.83 CNR2 (0.42) SLC2A1ALDH1A1GAAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed