SCHEMBL4901538

SCHEMBL4901538

CCC(CNCCN)N(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.38
CA12 O43570 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA1 P00915 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL8000651 0.79 CA12 (0.36) ANPEPCA12CA6CA7CA9
SCHEMBL27901363 0.78 CA12 (0.35) ANPEPCA12CA6CA7CA9
SCHEMBL11727936 0.76 CA12 (0.42) ANPEPCA12CA6CA7CA9
SCHEMBL7738829 0.74 CYP2C9 (0.33) ANPEPCYP2C9CYP2C19TDP1
Cysteamine SCHEMBL28946444 0.72 CYP2C9 (0.34) ANPEPCA12CA6CA7CA9
SCHEMBL2426099 0.71
SCHEMBL4700884 0.70 ALDH1A1 (0.46) ANPEPCA12CA6CA7CA9
SCHEMBL8972238 0.70
SCHEMBL11414844 0.70
SCHEMBL13007860 0.70 ALDH1A1 (0.46) ANPEPCA12CA6CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080152935-A1 BARRIER COATINGS PPG INDUSTRIES OHIO, INC. (US) 2008-06-26 US disclosed
EP-1797135-A1 BARRIER COATINGS PPG Industries Ohio, Inc. (US) 2007-06-20 EP disclosed
WO-2006041916-A1 BARRIER COATINGS PPG INDUSTRIES OHIO, INC. (US) 2006-04-20 WO disclosed
US-20060078740-A1 Barrier coatings PPG INDUSTRIES OHIO, INC. 2006-04-13 US disclosed
EP-0327039-B1 Barrier coatings PPG INDUSTRIES INC (US) 1998-05-13 EP disclosed
US-5639848-A OXYGEN IMPERMEABLE COATINGS; PACKAGING PPG INDUSTRIES, INC. (US) 1997-06-17 US disclosed
US-5573819-A MULTILAYER PACKAGING, POLYAMINE-POLYEPOXIDE REACTION PRODUCT PPG INDUSTRIES, INC. (US) 1996-11-12 US disclosed
US-5491204-A PLASTIC PACKAGING MATERIAL PPG INDUSTRIES, INC. (US) 1996-02-13 US disclosed
US-5489455-A CONSISTS OF ATLEAST ONE LAYER OF POLYMERIC MATERIAL SUCH AS POLYOLEFIN, POLYCARBONATE OR A POLYESTER AND ONE NON-GELLING BARRIER LAYER OF REACTION PRODUCT OF POLYAMINE AND POLYEPOXIDE; USED AS PACKAGINGS FOR FOOD AND BEVERAGES PPG INDUSTRIES, INC. (US) 1996-02-06 US disclosed
US-5438109-A Protective coatings; used in multilayer packaging and containers especially food and beverages PPG INDUSTRIES, INC. (US) 1995-08-01 US disclosed
EP-0327038-B1 Ungelled polyamine-polyepoxide resins PPG INDUSTRIES INC (US) 1995-05-03 EP disclosed
US-5300541-A Packaging for foods, medicines, beverages PPG INDUSTRIES, INC. (US) 1994-04-05 US disclosed
US-5008137-A Permeable polymer layer, amine-functional polymer impermeable layer; packaging PPG INDUSTRIES, INC. (US) 1991-04-16 US disclosed
US-5006381-A Packages, containers; gas barrier PPG INDUSTRIES, INC. (US) 1991-04-09 US disclosed
EP-0327038-A2 Ungelled polyamine-polyepoxide resins PPG INDUSTRIES, INC. (US) 1989-08-09 EP disclosed
EP-0327039-A2 Barrier coatings PPG INDUSTRIES, INC. (US) 1989-08-09 EP disclosed