SCHEMBL312016

SCHEMBL312016

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 7/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42

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
SCHEMBL311883 0.93 GAA (0.46) HPGDALDH1A1KMT2AMEN1THRB
SCHEMBL311994 0.92 KMT2A (0.46) HPGDALDH1A1KMT2AMEN1THRB
SCHEMBL311421 0.89 MEN1 (0.42) HPGDALDH1A1KMT2AMEN1THRB
SCHEMBL10215441 0.87 KDM4E (0.45) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL312303 0.87 TUBB4A (0.40) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL312241 0.86 ALDH1A1 (0.43) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL311592 0.83 NPC1 (0.38) HPGDALDH1A1KMT2AMEN1THRB
SCHEMBL312363 0.83 CYP1A2 (0.37) HPGDALDH1A1KMT2AMEN1THRB
SCHEMBL312228 0.81 CYP1A2 (0.37) HPGDALDH1A1KMT2AMEN1THRB
SCHEMBL312297 0.81 NLRP3 (0.42) HPGDALDH1A1KMT2AMEN1SMN1; SMN2

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