SCHEMBL8136752

SCHEMBL8136752

CCOC(=O)c1c(Cc2ccccc2)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.63
GABRG2 P18507 3/20 0.63
GABRB3 P28472 3/20 0.63
GABRA5 P31644 3/20 0.63
GABRA3 P34903 3/20 0.63
GABRA2 P47869 3/20 0.63
ALOX5 P09917 10/20 0.62
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56

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
SCHEMBL13309192 0.88 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7826782 0.86 ALOX5 (0.81) ALOX5MAPTHPGDALDH1A1KDM4E
SCHEMBL8637415 0.86 KDM4E (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6669594 0.86 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28497681 0.81 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25904024 0.81 ALDH1A1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7476207 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20944325 0.79 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL829647 0.79 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28819188 0.79 GABRA1 (0.59) 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
WO-1999043672-A9 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INST (US) 2000-05-04 WO disclosed