SCHEMBL3397979

SCHEMBL3397979

O=[N+](O)c1ccc(P(=O)([O-])[O-])cc1.[Cu]

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CES1 P23141 2/20 0.33
CA2 P00918 1/20 0.33
CES2 O00748 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
AKR1C3 P42330 1/20 0.31
CA12 O43570 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 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
SCHEMBL356641 0.83 CA2 (0.37) CA1CES1CA2CES2TSHR
SCHEMBL3397334 0.76 TSHR (0.38) CA1CES1CES2TSHRMEN1
SCHEMBL3397975 0.76 ALDH1A1 (0.48) CA1CES1CA2CES2MEN1
SCHEMBL8002492 0.76 ALDH1A1 (0.48) CA1CES1CA2CES2MEN1
SCHEMBL2374254 0.69 AKR1C3 (0.42) CA1CES1CA2CES2TSHR
SCHEMBL35321 0.69 CA1 (0.55) CA1CES1CA2CES2TSHR
SCHEMBL13815839 0.69 LMNA (0.44) CA1CES1CA2CES2TSHR
SCHEMBL11322611 0.68 CA1 (0.53) CA1CES1CA2CES2TSHR
SCHEMBL3733671 0.68 CA1 (0.53) CA1CES1CA2CES2TSHR
SCHEMBL3625606 0.67 TSHR (0.42) TSHRPOLBAKR1C3

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-8461075-B2 Recording material and method of recording TOYO INK MFG. CO., LTD. (JP) 2013-06-11 US disclosed
EP-1800885-B1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG CO (JP) 2010-08-11 EP disclosed
US-20080113861-A1 laser coloring layer of pigments, dyes, inorganic materials; foaming agent, urethane binder resin; YAG laser wavelength absorption range of 700 to 12,000 nm; generate gas within recording material, forming convex protrusions; food packaging, Braille, friction, buffering, spacer materials TOKYO INK MFG. CO., LTD. (JP) 2008-05-15 US disclosed
EP-1800885-A1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG. CO., LTD. (JP) 2007-06-27 EP disclosed