SCHEMBL4061163

SCHEMBL4061163

CCOC(=O)C(=O)c1c[nH]c2ccc(CC3CC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.51
GABRB2 P47870 3/20 0.51
GABRB1 P18505 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL404920 0.80 LMNA (0.61) GABRA1GABRB2GABRB1GABRA3
SCHEMBL10758855 0.80 GABRA1 (0.49) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1993247 0.78 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3
SCHEMBL404854 0.78 NR4A2 (0.60) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1994694 0.78 ALDH1A1 (0.58) GABRA1GABRB2GABRB1GABRA3
SCHEMBL14357715 0.77 MAPK14 (0.58)
SCHEMBL13727294 0.77 LMNA (0.64) GABRA1GABRB2GABRB1GABRA3
SCHEMBL462496 0.75 NPSR1 (0.47) GABRA1GABRB2GABRB1GABRA3
SCHEMBL368012 0.74 GABRA1 (0.58) GABRA1GABRB2GABRA3
SCHEMBL29790938 0.74 GABRA1 (0.58) GABRA1GABRB2GABRA3

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
EP-2125683-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS The Board of Trustees of the University of Illinois (US) 2009-12-02 EP disclosed
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 WO disclosed