SCHEMBL5875102

SCHEMBL5875102

O=C(CCCCCCCCC(=O)ON1CCNCC1)ON1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.40
GNAO1 P09471 6/20 0.40
GNAI1 P63096 6/20 0.40
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHKA P35790 1/20 0.32
DGKA P23743 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
NAAA Q02083 2/20 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
SCHEMBL8581907 1.00 GNAI3 (0.40) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL1642959 0.98 GNAI3 (0.38) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL5875158 0.94 TSHR (0.34) GNAI3GNAO1GNAI1CA2CA12
SCHEMBL5874232 0.91 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1DGKA
SCHEMBL5875251 0.91 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1DGKA
SCHEMBL5874398 0.91 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1DGKA
SCHEMBL5875013 0.91 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1DGKA
SCHEMBL5874516 0.91 GNAI3 (0.53) GNAI3GNAO1GNAI1SIGMAR1DGKA
SCHEMBL28251269 0.91 ITGB3 (0.41) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL27513970 0.90 GNAI3 (0.51) GNAI3GNAO1GNAI1SIGMAR1DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040080-A2 Nylon 6 polymer and process for its manufacture COURTAULDS PLC (GB) 1981-11-18 EP claimed
CN-102308035-A Cut resistant composite yarn DSM IP ASSETS BV 2012-01-04 CN disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030218150-A1 Additive compositions for cooling systems DOBER CHEMICAL CORPORATION 2003-11-27 US disclosed
WO-2003072676-A1 ADDITIVE COMPOSITIONS FOR COOLING SYSTEMS DOBER CHEMICAL CORPORATION (US) 2003-09-04 WO disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4452922-A RESILIENT, FLEXIBLE FOAMS AND ELASTOMERS TEXACO INC. (US) 1984-06-05 US disclosed
EP-0040080-A2 Nylon 6 polymer and process for its manufacture COURTAULDS PLC (GB) 1981-11-18 EP disclosed
US-4218351-A HOT MELT ADHESIVE COPOLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-08-19 US disclosed