SCHEMBL8387905

SCHEMBL8387905

CN(C)CCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ SERPINE1 P05121 1/20 0.47
▸ ESR1 P03372 8/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SCN1A P35498 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN3A Q9NY46 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL1234157 0.91 PHLPP2 (0.51) GAAALDH1A1SERPINE1ESR1LMNA
SCHEMBL9246950 0.86 ESR1 (0.58) SERPINE1ESR1LMNARECQLAKR1C4
SCHEMBL5008042 0.84 ESR1 (0.67) SERPINE1ESR1LMNARECQLAKR1C4
SCHEMBL25639260 0.84 LMNA (0.50) GAAALDH1A1SERPINE1ESR1LMNA
SCHEMBL7940101 0.84 SERPINE1 (0.51) ALDH1A1SERPINE1ESR1LMNARECQL
SCHEMBL7759185 0.82 ESR1 (0.50) SERPINE1ESR1LMNARECQLALOX5
SCHEMBL7943232 0.82 ESR1 (0.50) SERPINE1ESR1LMNARECQLALOX5
SCHEMBL13840644 0.82 ESR1 (0.66) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL23139632 0.82 GAA (0.56) GAAALDH1A1SERPINE1ESR1SCN1A
SCHEMBL9494870 0.82 LMNA (0.49) GAAALDH1A1SERPINE1ESR1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723206-B1 Toners and developers containing qauternary ammonium 3,5-di-tertiary-alkyl-4-hydroxybenzenesulfonate salts as charge-control agents EASTMAN KODAK CO (US) 1999-05-06 — — EP disclosed
EP-0723206-A1 Toners and developers containing qauternary ammonium 3,5-di-tertiary-alkyl-4-hydroxybenzenesulfonate salts as charge-control agents EASTMAN KODAK COMPANY (US) 1996-07-24 — — EP disclosed
EP-0718713-A1 Quarternary ammonium salts as charge-control agents for toners and developers EASTMAN KODAK COMPANY (US) 1996-06-26 — — EP disclosed
US-5516616-A HEAT RESISTANT AMMONIUM SALTS WITH CHARGE CHARACTERISTIC AND POLYMER BINDERS EASTMAN KODAK COMPANY (US) 1996-05-14 — — US disclosed
US-5491044-A Toners and developers containing quaternary ammonium 3,5-di-tertiary-alkyl-4-hydroxybezenesulfonate salts as charge-control agents EASTMAN KODAK COMPANY (US) 1996-02-13 — — US disclosed
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