SCHEMBL311335

SCHEMBL311335

CCOC(=O)Nc1cc(O)c(F)cc1-c1cc(=O)c2c(F)cccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL312297 0.88 NLRP3 (0.42) NLRP3ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL312712 0.87 HPGD (0.43) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL313026 0.86 ALDH1A1 (0.42) NLRP3ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL312964 0.82 MEN1 (0.45) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL311753 0.80 ALDH1A1 (0.43) NLRP3ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL313232 0.79 HPGD (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL311592 0.77 NPC1 (0.38) NLRP3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL312363 0.77 CYP1A2 (0.37) NLRP3ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL312387 0.74 CYP1A2 (0.38) NLRP3ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL311043 0.74 CYP1A2 (0.38) NLRP3ALDH1A1KDM4EHSD17B10SMN1; 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