SCHEMBL3397975

SCHEMBL3397975

O=[N+]([O-])c1ccc(P(=O)([O-])[O-])cc1.[Cu+2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
CA1 P00915 4/20 0.47
CA12 O43570 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA2 P00918 3/20 0.47
CES1 P23141 2/20 0.47
CES2 O00748 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL8002492 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL10976942 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL2030364 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL11098219 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL356640 0.77 CA2 (0.57) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL23270417 0.77 CA1 (0.57) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL2034975 0.77 HSD17B10 (0.54) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL22567 0.77 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL27909482 0.77 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHECA1CA12
SCHEMBL3397979 0.76 CA1 (0.33) CA1CA12MMP2MMP9MMP8

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