SCHEMBL3899668

SCHEMBL3899668

Cc1cc([N+](=O)[O-])cc(C)c1OC(=O)c1c2ccccc2nc2cc(OCCCC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAOB P27338 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLA2G2A P14555 2/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NPBWR1 P48145 1/20 0.36
TOP2A P11388 2/20 0.35

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
SCHEMBL9429214 0.96 MAPT (0.39) MAPTMMP13ALDH1A1SMN1; SMN2MAOB
SCHEMBL6698768 0.84 MAPT (0.44) MAPTALDH1A1SMN1; SMN2RXFP1KDM4E
SCHEMBL7105847 0.82 MAPT (0.47) MAPTALDH1A1MAOBRXFP1KDM4E
SCHEMBL3963359 0.81 MAPT (0.37) MAPTMMP13ALDH1A1SMN1; SMN2RXFP1
SCHEMBL925911 0.81 PLA2G2A (0.42) MAPTALDH1A1SMN1; SMN2MAOBRXFP1
SCHEMBL9429110 0.80 MMP13 (0.45) MMP13SMN1; SMN2KDM4ECYSLTR2CYSLTR1
SCHEMBL3967776 0.80 MAPT (0.41) MAPTALDH1A1SMN1; SMN2RXFP1KDM4E
SCHEMBL7047790 0.80 MAPT (0.55) MAPTALDH1A1SMN1; SMN2RXFP1KDM4E
SCHEMBL7106167 0.79 KMT2A (0.38) KMT2AMEN1HSP90AA1TOP2ATOP2B
SCHEMBL923930 0.78 PLA2G2A (0.46) MAPTMMP13ALDH1A1SMN1; SMN2MAOB

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-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 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