SCHEMBL5874131

SCHEMBL5874131

O=C(CC(=O)ON1CCNCC1)ON1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
CHKA P35790 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33

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
SCHEMBL5008157 0.86 CA2 (0.37) CA2CA12CA1CA9CHRM5
SCHEMBL8005902 0.84 CA2 (0.35) CA2CA12CA1CA9CHRM5
SCHEMBL5875400 0.83 CHRM5 (0.30) CHRM5CHRM3
SCHEMBL1642959 0.83 GNAI3 (0.38) CA2CA12CA1CA9CHRM5
SCHEMBL5874522 0.83 CA2 (0.34) CA2CA12CA1CA9CHRM5
SCHEMBL1681598 0.83 SIGMAR1 (0.37) CA2CA12CA1CA9CHRM5
SCHEMBL5875158 0.83 TSHR (0.34) CA2CA12CA1CA9CHRM5
SCHEMBL5875102 0.81 GNAI3 (0.40) CA2CA12CA1CA9CHKA
SCHEMBL8581907 0.81 GNAI3 (0.40) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL27483978 0.81 GNAI3 (0.37) CA2CA12CA1CA9CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US 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-5196509-A Side chain condensation polymer which exhibits nonlinear optical response HOECHST CELANESE CORP. (US) 1993-03-23 US disclosed
US-4371668-A CARBOXYLIC ACID AMINE SALTS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-02-01 US disclosed
US-4281085-A USING AN AMINE SALT OF A CARBOXYLIC ACID AS CROSSLINKING AGENT JAPAN SYNTHETIC RUBBER COMPANY, LTD. (JP) 1981-07-28 US disclosed