SCHEMBL7589373

SCHEMBL7589373

CC(C)c1cc2ccccc2c(S(=O)(=O)O)c1C(C)C.[MgH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
MPL P40238 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ATIC P31939 1/20 0.33
HIF1A Q16665 1/20 0.33
CTRC Q99895 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL29387441 0.98 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL352743 0.98 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL30604729 0.98 CYP2D6 (0.47) CYP2D6FABP3FABP4FABP5GABRA1
Ammonia Solution, Strong SCHEMBL6848292 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL31139630 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL3680887 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL2230786 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL3680881 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
Ammonia Solution, Strong SCHEMBL6848295 0.97 CYP2D6 (0.46) CYP2D6FABP3FABP4FABP5GABRA1
SCHEMBL14295886 0.86 FABP3 (0.49) CYP2D6FABP3FABP4FABP5NCEH1

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-1000969-B1 Antistatic agent for synthetic polymer materials and method of application thereof TAKEMOTO OIL & FAT CO LTD (JP) 2002-10-09 EP disclosed
US-6225386-B1 PHOSPHONIUM SULFONATE AND INORGANIC SULFONATE; DOESN'T ADVERSELY EFFECT NATURAAL HUE AND TRANSPARENCY OF MATERIAL TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2001-05-01 US disclosed
EP-1000969-A1 Antistatic agent for synthetic polymer materials and method of application thereof Takemoto Yushi Kabushiki Kaisha (JP) 2000-05-17 EP disclosed