SCHEMBL3899652

SCHEMBL3899652

COc1ccc(S(=O)(=O)Cl)c(OC)c1OC(=O)c1cc(-c2ccccc2)[n+](C)c2ccccc12.O=S(=O)([O-])F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
FABP4 P15090 7/20 0.33
PLA2G2A P14555 1/20 0.33
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
DHODH Q02127 1/20 0.31
ACHE P22303 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL3896152 0.84 PLA2G2A (0.34) ACLYALDH1A1FABP4PLA2G2AACHE
SCHEMBL3907870 0.79 PLK1 (0.34) ACLYALDH1A1MAPTFABP4PLA2G2A
SCHEMBL3907369 0.74 FABP4 (0.35) ACLYALDH1A1POLBFABP4ACHE
SCHEMBL3907367 0.74 FABP4 (0.35) ACLYALDH1A1POLBFABP4ACHE
SCHEMBL3911544 0.71 POLB (0.41) ALDH1A1POLBMAPTFABP4DHODH
SCHEMBL3898820 0.70 ACHE (0.38) ALDH1A1POLBMAPTACHE
SCHEMBL3902038 0.69 ESR1 (0.36) ALDH1A1POLBMAPTACHE
SCHEMBL3898772 0.67 ACHE (0.32) ACHE
SCHEMBL29785793 0.64 TRPV4 (0.55) ALDH1A1POLBMAPTPDE4D
SCHEMBL2494766 0.64 TRPV4 (0.55) ALDH1A1POLBMAPTPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed