SCHEMBL5268977

SCHEMBL5268977

O=c1cc(-c2ccc(O)nc2)oc2c(O)cccc12.O=c1cc(-c2ccc(O)nc2)oc2cc(O)ccc12.O=c1cc(-c2ccc(O)nc2)oc2ccc(O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
CYP3A4 P08684 4/20 0.52
TNKS O95271 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAOA P21397 3/20 0.52
PARP1 P09874 3/20 0.52
TNKS2 Q9H2K2 3/20 0.52
IP6K2 Q9UHH9 2/20 0.52
CYP19A1 P11511 2/20 0.52
MAOB P27338 2/20 0.52
QPCT Q16769 2/20 0.52
ALOX15 P16050 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL312103 0.86 CYP19A1 (0.48) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL311730 0.85 CYP3A4 (0.71) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL314217 0.85 MAPT (0.71) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL311199 0.79 TNKS (0.67) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL311865 0.75 TERT (0.68) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL311760 0.73 AR (0.68) HPGDSMN1; SMN2CYP3A4ALDH1A1MAPT
SCHEMBL31238421 0.73 MAPT (0.71) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL31167385 0.71 CYP3A4 (1.00) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL157723 0.71 CYP3A4 (1.00) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1
SCHEMBL311405 0.71 MAPT (1.00) HPGDSMN1; SMN2CYP3A4TNKSALDH1A1

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
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 WO disclosed