SCHEMBL8375609

SCHEMBL8375609

CC(C)(C)c1cc(S(=O)(=O)O)cc(C(C)(C)C)c1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TNFRSF1A P19438 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
CYP2D6 P10635 1/20 0.40
PTPN1 P18031 1/20 0.40
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 1/20 0.39
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TYR P14679 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL1962153 0.83 CA2 (0.54) PTGS2MEN1KMT2AGAASMN1; SMN2
SCHEMBL10567856 0.82 CA2 (0.48) PTGS2MEN1KMT2AGAATNFRSF1A
SCHEMBL10567591 0.82 CA2 (0.48) PTGS2MEN1KMT2AGAATNFRSF1A
Ammonia Solution, Strong SCHEMBL25385967 0.82 CA2 (0.52) PTGS2MEN1KMT2AGAASMN1; SMN2
SCHEMBL1960304 0.82 CA2 (0.52) PTGS2MEN1KMT2AGAASMN1; SMN2
SCHEMBL8369674 0.76 TSHR (0.44) PTGS2SMN1; SMN2POLBTSHRCYP2D6
SCHEMBL7635581 0.76 PTGS2 (0.50) PTGS2MEN1KMT2AGAATNFRSF1A
SCHEMBL8369557 0.75 CA2 (0.43) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL996850 0.74 TSHR (0.65) SMN1; SMN2POLBTSHRCYP2D6CA2
SCHEMBL28215454 0.74 TSHR (0.73) SMN1; SMN2POLBTSHRCYP2D6CA2

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