SCHEMBL6046908

SCHEMBL6046908

C=C(C)C(=O)OCN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
PTGS1 P23219 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.42
CYP19A1 P11511 1/20 0.40
APEX1 P27695 1/20 0.40
MAOB P27338 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP14 P50281 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 2/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL6046907 1.00 PTGS2 (0.44) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6046910 0.88 MAPT (0.46) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6046909 0.88 MAPT (0.46) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL9650790 0.85 MAPT (0.48) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL9650794 0.85 MAPT (0.48) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL9638174 0.85 PTGS2 (0.45) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL9766280 0.85 MAPT (0.45) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL9655690 0.82 PPARG (0.46) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6209327 0.81 MAPT (0.50) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL6209324 0.81 MAPT (0.50) PTGS2PTGS1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5598005-A Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) 1997-01-28 US claimed
US-20060166033-A1 Polymerizable, luminescent compounds and mixtures, luminescent polymer materials and their use MERCK PATENT GMBH (DE) 2006-07-27 US disclosed
US-5598005-A Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) 1997-01-28 US disclosed
US-4808332-A Acrylic copolymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-02-28 US disclosed