SCHEMBL3901332

SCHEMBL3901332

Cc1cc([N+](C)(C)C)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 14/20 0.36
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCHE P06276 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
SCHEMBL3899292 0.92 ACHE (0.34) MAPTGAAHTTKDM4ETP53
SCHEMBL6254465 0.84 L3MBTL1 (0.42) MAPTGAAHTTKDM4ETP53
SCHEMBL12907529 0.83 TTR (0.38) MAPTGAAHTTKDM4ETP53
Bromide SCHEMBL8908965 0.82 TTR (0.37) MAPTGAAHTTKDM4ETP53
SCHEMBL17898189 0.82 PPARA (0.45) MAPTGAAHTTKDM4ETP53
SCHEMBL3907883 0.77 ACHE (0.35) MAPTGAAHTTKDM4ETP53
SCHEMBL4192297 0.76 GAA (0.37) MAPTGAAHTTKDM4ETP53
Trifluoromethanesulfonic Acid SCHEMBL38663634 0.76 TERT (0.35) MAPTGAAHTTKDM4ETP53
SCHEMBL3907421 0.76 L3MBTL1 (0.36) MAPTGAAKDM4EHSD17B10ACHE
SCHEMBL641602 0.76 ACHE (0.32) MAPTGAAHTTKDM4ETP53

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 9 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-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
US-5281712-A Ammonium substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-01-25 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