SCHEMBL311592

SCHEMBL311592

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(F)cc(F)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
CHRM3 P20309 4/20 0.35
NTRK1 P04629 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TNIK Q9UKE5 1/20 0.33

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) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL312363 0.86 CYP1A2 (0.37) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL311994 0.85 KMT2A (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL312382 0.85 CYP1A2 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL311421 0.84 MEN1 (0.42) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL312387 0.84 CYP1A2 (0.38) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL312016 0.83 HPGD (0.51) MAPTMEN1KMT2AALDH1A1THRB
SCHEMBL311043 0.82 CYP1A2 (0.38) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL311753 0.82 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL312241 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDCYP1A2

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