SCHEMBL312017

SCHEMBL312017

CCOC(=O)Nc1cc(O)cc(O)c1-c1cc(=O)c2c(O)cccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36

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
SCHEMBL311045 0.88 KDM4E (0.45) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL311753 0.86 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL313026 0.83 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL312803 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL312382 0.78 CYP1A2 (0.39) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL311126 0.78 HPGD (0.43) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL312297 0.76 NLRP3 (0.42) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL311335 0.74 NLRP3 (0.40) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL311043 0.73 CYP1A2 (0.38) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL10215441 0.73 KDM4E (0.45) ALDH1A1HSD17B10KDM4EHPGDMEN1

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