SCHEMBL3202140

SCHEMBL3202140

CC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
DUSP5 Q16690 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL450356 0.89 NR4A1 (0.39) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3205020 0.86 ALDH1A1 (0.37) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL453181 0.84 NR1I2 (0.37) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL29754167 0.84 NR1I2 (0.37) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL2898295 0.84 NR4A1 (0.40) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3199446 0.83 NR4A1 (0.33) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3195405 0.83 TDP1 (0.39) NR4A1ALDH1A1MAPTKDM4ETDP1
SCHEMBL2904056 0.82 NR4A1 (0.33) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL2900933 0.81 PPARG (0.32) NR4A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL5442126 0.80 NR1I2 (0.39) NR4A1ALDH1A1HPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed