SCHEMBL311045

SCHEMBL311045

CCOC(=O)Nc1cc(O)cc(O)c1-c1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
HPGD P15428 6/20 0.45
LMNA P02545 5/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 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
SCHEMBL311126 0.90 HPGD (0.43) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL312803 0.89 ALDH1A1 (0.41) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL312017 0.88 ALDH1A1 (0.41) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL10215441 0.85 KDM4E (0.45) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL313232 0.84 HPGD (0.46) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL10215439 0.81 TP53 (0.42) KDM4EHPGDLMNAALDH1A1TUBB4A
SCHEMBL312712 0.81 HPGD (0.43) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL312527 0.78 MEN1 (0.46) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL312706 0.77 KDM4E (0.61) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL312241 0.76 ALDH1A1 (0.43) KDM4EHPGDLMNAHSD17B10ALDH1A1

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