SCHEMBL6129574

SCHEMBL6129574

CC(C)(C)OC(=O)c1nc(C(=O)O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
GABRA1 P14867 6/20 0.33
GABRG2 P18507 6/20 0.33
GABRB3 P28472 6/20 0.33
GABRA3 P34903 6/20 0.33
GABRA2 P47869 6/20 0.33
GABRA5 P31644 5/20 0.33
GABRA6 Q16445 4/20 0.33
GABRA4 P48169 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRE P78334 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL7680179 0.89 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL10067534 0.82 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3706189 0.81 KDM4E (0.42) ALDH1A1LMNAKMT2AKDM4ETSHR
SCHEMBL7684740 0.81 POLB (0.37) HPGDSGABRA1GABRG2GABRB3GABRA3
SCHEMBL311179 0.80 KDM4E (0.35) LMNAKDM4EALOX15TSHRACMSD
SCHEMBL163219 0.79 ABCG2 (0.32) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5172213 0.79 ABCG2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7684320 0.79 ALOX15 (0.49) ALDH1A1LMNAMEN1NPC1GAA
SCHEMBL8647610 0.78 CYP1A2 (0.41) ALDH1A1MEN1NPC1GAARAB9A
SCHEMBL7456710 0.78 CA12 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2

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
US-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20050142581-A1 Microrna as ligands and target molecules ISIS PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2005023986-A2 MICRORNA AS LIGANDS AND TARGET MOLECULES ISIS PHARMACEUTICALS, INC. (US) 2005-03-17 WO disclosed
EP-1183091-A4 OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY ISIS PHARMACEUTICALS INC (US) 2005-03-02 EP disclosed
US-6770486-B1 IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US disclosed
EP-1183091-A1 OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. (US) 2002-03-06 EP disclosed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
WO-2001058573-A1 OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. (US) 2001-08-16 WO disclosed