SCHEMBL9535751

SCHEMBL9535751

CCOC(=O)Oc1ncc2[nH]c3cccc(Oc4ccccc4)c3c2c1COC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.58
GABRG2 P18507 15/20 0.58
GABRB3 P28472 15/20 0.58
GABRA5 P31644 15/20 0.58
GABRA3 P34903 15/20 0.58
GABRA2 P47869 13/20 0.58
GABRP O00591 10/20 0.58
GABRD O14764 10/20 0.58
GABRB1 P18505 10/20 0.58
GABRB2 P47870 10/20 0.58
GABRA4 P48169 10/20 0.58
GABRE P78334 10/20 0.58
GABRA6 Q16445 10/20 0.58
GABRG1 Q8N1C3 10/20 0.58
GABRG3 Q99928 10/20 0.58
GABRQ Q9UN88 10/20 0.58
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL9536626 0.92 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9533380 0.92 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535060 0.91 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537654 0.90 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9535025 0.90 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536677 0.90 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9536732 0.89 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689405 0.89 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9687526 0.89 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537403 0.89 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3

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-0177016-B1 PYRIDYLOXY DERIVATIVES Ikeda Mohando Co., Ltd. (JP) 1993-06-23 EP disclosed
EP-0234173-A2 Phenoxy-substituted beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-02 EP disclosed