SCHEMBL8908696

SCHEMBL8908696

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.49
GABRG2 P18507 16/20 0.49
GABRB3 P28472 16/20 0.49
GABRA5 P31644 16/20 0.49
GABRA3 P34903 16/20 0.49
GABRA2 P47869 14/20 0.49
GABRP O00591 12/20 0.49
GABRD O14764 12/20 0.49
GABRB1 P18505 12/20 0.49
GABRB2 P47870 12/20 0.49
GABRA4 P48169 12/20 0.49
GABRE P78334 12/20 0.49
GABRA6 Q16445 12/20 0.49
GABRG1 Q8N1C3 12/20 0.49
GABRG3 Q99928 12/20 0.49
GABRQ Q9UN88 12/20 0.49
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL9840009 0.92 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838883 0.89 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9525733 0.87 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8907909 0.87 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10768858 0.86 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9835381 0.85 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838953 0.84 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8908908 0.84 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10769712 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10767958 0.83 GABRA1 (0.48) 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
EP-0610357-B1 TRANSDERMAL THERAPEUTIC SYSTEMS CONTAINING CRYSTALLIZATION INHIBITORS SCHERING AG (DE) 1997-09-17 EP disclosed