SCHEMBL311883

SCHEMBL311883

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cc(O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
ALOX5 P09917 5/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 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
SCHEMBL312016 0.93 HPGD (0.51) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL312303 0.91 TUBB4A (0.40) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10215441 0.91 KDM4E (0.45) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL312241 0.91 ALDH1A1 (0.43) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL311421 0.89 MEN1 (0.42) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL311994 0.86 KMT2A (0.46) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL311043 0.85 CYP1A2 (0.38) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL312382 0.84 CYP1A2 (0.39) GAAALOX5ALDH1A1KDM4EHSD17B10
SCHEMBL312363 0.83 CYP1A2 (0.37) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL312167 0.83 CYP1A2 (0.38) GAAALDH1A1HPGDKDM4EHSD17B10

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
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed