SCHEMBL8375647

SCHEMBL8375647

CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C(C)(C)C)c1O.Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DUSP5 Q16690 2/20 0.37
HTT P42858 2/20 0.36
GALR3 O60755 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
PTPN1 P18031 1/20 0.35
DUSP6 Q16828 1/20 0.34
HSD17B2 P37059 3/20 0.34
USP2 O75604 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
SCHEMBL8373575 0.88 PTGS2 (0.36) PTGS2ALDH1A1SMN1; SMN2CA2POLB
SCHEMBL8374286 0.87 PTGS2 (0.46) PTGS2ALDH1A1SMN1; SMN2CA2POLB
SCHEMBL8374434 0.85 CA1 (0.46) ALDH1A1SMN1; SMN2CA2MEN1KMT2A
SCHEMBL8377170 0.82 CA12 (0.40) PTGS2PTGS1ALDH1A1CA2POLB
SCHEMBL8378062 0.82 MAPT (0.44) PTGS2ALDH1A1SMN1; SMN2CA2POLB
Potassium Ion SCHEMBL1960305 0.80 CA2 (0.50) PTGS2PTGS1ALDH1A1SMN1; SMN2CA2
SCHEMBL8374168 0.79 POLB (0.41) PTGS2ALDH1A1POLBMEN1KMT2A
SCHEMBL8373609 0.79 PTGS2 (0.42) PTGS2ALDH1A1CA2POLBL3MBTL1
SCHEMBL8378039 0.79 POLB (0.41) PTGS2ALDH1A1POLBMEN1KMT2A
SCHEMBL9633418 0.78 GAA (0.48) ALDH1A1SMN1; SMN2CA2MEN1KMT2A

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-0720066-B1 Toners and developers containing quaternary phosphonium 3,5-di-tertiary-alkyl-4-hydroxybenzenesulfonates as charge-control agents EASTMAN KODAK CO (US) 1999-03-10 EP disclosed
EP-0720066-A1 Toners and developers containing quaternary phosphonium 3,5-di-tertiary-alkyl-4-hydroxybenzenesulfonates as charge-control agents EASTMAN KODAK COMPANY (US) 1996-07-03 EP disclosed
US-5508140-A ELECTROSTATOGRAPHIC; THERMAL STABILITY AND GOOD CHARGING PROPERTIES EASTMAN KODAK COMPANY (US) 1996-04-16 US disclosed