SCHEMBL311987

SCHEMBL311987

CCOC(=O)Nc1nc(O)ccc1-c1cc(=O)c2c(O)cccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
AR P10275 9/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 5/20 0.43
CYP3A4 P08684 4/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1B1 Q16678 1/20 0.43
FTO Q9C0B1 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL312401 0.87 KDM4E (0.59) MEN1KMT2AMAPTCYP3A4ALOX15
SCHEMBL311535 0.85 HPGD (0.44) MEN1KMT2AMAPTCYP3A4ALOX15
SCHEMBL312214 0.82 HPGD (0.47) MEN1KMT2AMAPTCYP3A4ALOX15
SCHEMBL311355 0.82 AKR1B1 (0.51) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL313004 0.82 ATM (0.52) ATMARMEN1KMT2AMAPT
SCHEMBL313348 0.81 ATM (0.49) ATMARMEN1KMT2AMAPT
SCHEMBL311513 0.75 AR (0.45) ATMARMEN1KMT2AMAPT
SCHEMBL312366 0.74 KDM4E (0.58) MEN1KMT2AMAPTCYP3A4ALOX15
SCHEMBL312126 0.72 MAOB (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL311402 0.72 ATM (0.53) ATMARMEN1KMT2AMAPT

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