SCHEMBL8374166

SCHEMBL8374166

CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C(C)(C)C)c1O.c1ccc([P+](c2ccccc2)(c2ccccc2)C2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PTPN1 P18031 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TNFRSF1A P19438 1/20 0.35
MAOB P27338 5/20 0.35
PKLR P30613 2/20 0.35
SIRT1 Q96EB6 1/20 0.34
MAOA P21397 2/20 0.34
DUSP5 Q16690 1/20 0.34
DUSP6 Q16828 1/20 0.34
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8374451 0.96 PTGS2 (0.41) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8374160 0.95 PTGS2 (0.41) PTGS2PTPN1MEN1KMT2AGAA
Tetraphenylphosphonium SCHEMBL8377135 0.84 PTGS2 (0.47) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8374286 0.83 PTGS2 (0.46) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8378038 0.82 PTGS2 (0.40) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8375634 0.81 PTGS2 (0.47) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8374157 0.80 PTGS2 (0.46) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8377123 0.78 PTGS2 (0.45) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8378085 0.78 PTGS2 (0.42) PTGS2PTPN1MEN1KMT2AGAA
SCHEMBL8374175 0.78 PTGS2 (0.42) PTGS2PTPN1MEN1KMT2AGAA

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