SCHEMBL5875158

SCHEMBL5875158

O=C(CCCC(=O)ON1CCNCC1)ON1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CHKA P35790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GLA P06280 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ATM Q13315 1/20 0.31
CHRM5 P08912 1/20 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
SCHEMBL1642959 0.96 GNAI3 (0.38) TSHRCA2CA12CA1CA9
SCHEMBL8581907 0.94 GNAI3 (0.40) CA2CA12CA1CA9GNAI3
SCHEMBL5875102 0.94 GNAI3 (0.40) CA2CA12CA1CA9GNAI3
SCHEMBL5008157 0.91 CA2 (0.37) CA2CA12CA1CA9GNAI3
SCHEMBL27888271 0.90 CAMK2A (0.32) CA2CA12CA1CA9GNAI3
SCHEMBL5874088 0.89 GNAI3 (0.44) GNAI3GNAO1GNAI1SIGMAR1L3MBTL1
SCHEMBL28251269 0.89 ITGB3 (0.41) TSHRGNAI3GNAO1GNAI1ITGB3
SCHEMBL5874316 0.87 GNAI3 (0.50) GNAI3GNAO1GNAI1SIGMAR1L3MBTL1
SCHEMBL5874516 0.86 GNAI3 (0.53) TSHRGNAI3GNAO1GNAI1SIGMAR1
SCHEMBL5874398 0.86 GNAI3 (0.53) TSHRGNAI3GNAO1GNAI1SIGMAR1

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 2 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