SCHEMBL8377168

SCHEMBL8377168

CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C(C)(C)C)c1O.ClCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.36
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TNFRSF1A P19438 1/20 0.34
PKLR P30613 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.33
F2R P25116 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
SCHEMBL8374164 0.89 PTGS2 (0.45) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8377123 0.89 PTGS2 (0.45) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8373573 0.88 PTGS2 (0.41) PTGS2MEN1KMT2AGAAPTPN1
Butyltriphenylphosphonium SCHEMBL8375252 0.87 PTGS2 (0.47) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8374157 0.86 PTGS2 (0.46) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8373564 0.86 PTGS2 (0.47) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8375660 0.86 PTGS2 (0.40) PTGS2MEN1KMT2AGAAPTPN1
Decyltriphenylphosphonium SCHEMBL8378069 0.85 PTGS2 (0.46) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8374435 0.85 PTGS2 (0.46) PTGS2MEN1KMT2AGAAPTPN1
SCHEMBL8375697 0.85 MMP2 (0.41) PTGS2MEN1KMT2AGAA

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