SCHEMBL3896152

SCHEMBL3896152

COc1ccc(S(=O)(=O)Cl)c(OC)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12.O=S(=O)([O-])F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.34
FABP4 P15090 10/20 0.32
ACHE P22303 1/20 0.32
ACLY P53396 1/20 0.32
PLK1 P53350 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL3907870 0.95 PLK1 (0.34) PLA2G2AFABP4ACHEACLYPLK1
SCHEMBL3902038 0.85 ESR1 (0.36) ACHEALDH1A1NPSR1
SCHEMBL3899652 0.84 ACLY (0.36) PLA2G2AFABP4ACHEACLYALDH1A1
SCHEMBL3898772 0.82 ACHE (0.32) ACHE
SCHEMBL3911544 0.80 POLB (0.41) FABP4KDM4EALDH1A1
SCHEMBL3907369 0.78 FABP4 (0.35) FABP4ACHEACLYKDM4EALDH1A1
SCHEMBL3907367 0.78 FABP4 (0.35) FABP4ACHEACLYKDM4EALDH1A1
SCHEMBL3907421 0.76 L3MBTL1 (0.36) ACHEKDM4EALDH1A1HPGD
SCHEMBL3904667 0.76 ACHE (0.32) ACHEALDH1A1NPSR1PKM
SCHEMBL10480404 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP claimed
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
EP-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP disclosed
US-5338847-A Hydrolytically stable chemiluminescent labels and their conjugates, and assays therefrom by adduct formation LONDON DIAGNOSTICS, INC. (US) 1994-08-16 US disclosed
US-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US 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
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 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