SCHEMBL16794826

SCHEMBL16794826

COc1ccc(CN2C(=O)COc3cc(C(C)=O)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 1/20 0.55
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
CBX7 O95931 1/20 0.47
CDYL2 Q8N8U2 1/20 0.47
CDYL Q9Y232 1/20 0.47
CDY1; CDY1B Q9Y6F8 1/20 0.47
F10 P00742 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMPD1 P17405 1/20 0.45
CMA1 P23946 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL16814286 0.89 L3MBTL1 (0.64) L3MBTL1ALDH1A1ITGB3ITGA2BCBX7
SCHEMBL18581323 0.88 L3MBTL1 (0.62) L3MBTL1ALDH1A1ITGB3ITGA2BHDAC6
SCHEMBL29790735 0.88 L3MBTL1 (0.62) L3MBTL1ALDH1A1ITGB3ITGA2BHDAC6
SCHEMBL6096494 0.85 L3MBTL1 (0.70) L3MBTL1ALDH1A1ITGB3ITGA2BCBX7
SCHEMBL6096108 0.84 L3MBTL1 (0.72) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL15176632 0.83 L3MBTL1 (0.70) L3MBTL1ALDH1A1ITGB3ITGA2BF10
SCHEMBL18581568 0.81 L3MBTL1 (0.65) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL8554715 0.80 L3MBTL1 (1.00) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL18581043 0.80 L3MBTL1 (0.62) L3MBTL1ALDH1A1HDAC6
SCHEMBL5914800 0.79 ITGB3 (0.56) L3MBTL1ALDH1A1ITGB3ITGA2BKDM4E

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
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed