SCHEMBL3062040

SCHEMBL3062040

NCCCNCCNCC(N)CCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.56
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
ALOX15 P16050 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
THPO P40225 2/20 0.50
RECQL P46063 2/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA3 P07451 3/20 0.48

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
SCHEMBL6862210 0.96 CA12 (0.48) CASP2CA12CA6CA7CA9
SCHEMBL5499167 0.96 CA12 (0.48) CASP2CA12CA6CA7CA9
SCHEMBL6431470 0.96 CA12 (0.48) CASP2CA12CA6CA7CA9
SCHEMBL174573 0.89 CA12 (0.58) CASP2CA12CA6CA7CA9
SCHEMBL175639 0.88 CA12 (0.56) CASP2CA12CA6CA7CA9
SCHEMBL21045082 0.84 CASP2 (0.59) CASP2CA12CA6CA7CA9
SCHEMBL10064408 0.84 CASP2 (0.59) CASP2CA12CA6CA7CA9
SCHEMBL4542619 0.84 CA12 (0.57) CASP2CA12CA6CA7CA9
SCHEMBL5085745 0.83 CASP2 (0.41) CASP2CA12CA6CA7CA9
SCHEMBL351230 0.83 CA12 (0.48) CASP2CA12CA6CA7CA9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
EP-2220176-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION Dublin Institute of Technology Intellectual Property Ltd (IE) 2010-08-25 EP disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
WO-2009069111-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECHNOLOGY (IE) 2009-06-04 WO disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-6818313-B2 TO BE DEPOSITED ONTO STEEL OR CAST IRON SURFACES FOR ENHANCED CORROSION PROTECTION UNIVERSITY OF DAYTON 2004-11-16 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed