SCHEMBL312303

SCHEMBL312303

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2cc(O)c(O)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL312241 0.91 ALDH1A1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL311883 0.91 GAA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL311421 0.90 MEN1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL311700 0.87 ALDH1A1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10215441 0.87 KDM4E (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL311994 0.87 KMT2A (0.46) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL312016 0.87 HPGD (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL312382 0.84 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL312167 0.83 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HSD17B10ALDH1A1
SCHEMBL311043 0.83 CYP1A2 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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