SCHEMBL8375660

SCHEMBL8375660

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
TRAP1 Q12931 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TNFRSF1A P19438 1/20 0.33
PKLR P30613 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.32

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
SCHEMBL8374165 0.97 PTGS2 (0.42) PTGS2MEN1GAAKMT2APTPN1
Butyltriphenylphosphonium SCHEMBL8375252 0.89 PTGS2 (0.47) PTGS2MEN1GAAKMT2APTPN1
SCHEMBL8373564 0.88 PTGS2 (0.47) PTGS2MEN1GAAKMT2APTPN1
SCHEMBL8378054 0.87 PTGS2 (0.46) PTGS2MEN1GAAKMT2APTPN1
SCHEMBL8375697 0.87 MMP2 (0.41) PTGS2MEN1GAAKMT2A
SCHEMBL8374452 0.87 PTGS2 (0.46) PTGS2MEN1GAAKMT2APTPN1
Decyltriphenylphosphonium SCHEMBL8378069 0.87 PTGS2 (0.46) PTGS2MEN1GAAKMT2APTPN1
SCHEMBL8374435 0.87 PTGS2 (0.46) PTGS2MEN1GAAKMT2APTPN1
SCHEMBL8373567 0.87 PTGS2 (0.46) PTGS2MEN1GAAKMT2APTPN1
SCHEMBL8373558 0.87 PTGS2 (0.46) PTGS2MEN1GAAKMT2APTPN1

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