SCHEMBL8908908

SCHEMBL8908908

CCOC(=O)c1ncc2[nH]c3cccc(C(C)C)c3c2c1COC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.69
GABRG2 P18507 18/20 0.69
GABRB3 P28472 18/20 0.69
GABRA5 P31644 18/20 0.69
GABRA3 P34903 18/20 0.69
GABRA2 P47869 16/20 0.69
GABRA6 Q16445 11/20 0.69
GABRP O00591 10/20 0.69
GABRD O14764 10/20 0.69
GABRB1 P18505 10/20 0.69
GABRB2 P47870 10/20 0.69
GABRA4 P48169 10/20 0.69
GABRE P78334 10/20 0.69
GABRG1 Q8N1C3 10/20 0.69
GABRG3 Q99928 10/20 0.69
GABRQ Q9UN88 10/20 0.69
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL10631504 0.91 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10634397 0.89 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10374361 0.87 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076621 0.86 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623843 0.86 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8908666 0.86 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627462 0.86 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10709820 0.85 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10706549 0.85 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10376916 0.85 GABRA1 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5676968-A CONTAINING PENETRATION PROMOTER, ACTIVE MATERIAL AND ADHESIVE SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed