SCHEMBL311753

SCHEMBL311753

CCOC(=O)Nc1cc(O)ccc1-c1cc(=O)c2c(O)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.36
NLRP3 Q96P20 3/20 0.36
PTPN1 P18031 1/20 0.36
ALOX5 P09917 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNQ2 O43526 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 0.90 NLRP3 (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL313026 0.90 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL312382 0.89 CYP1A2 (0.39) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL311043 0.88 CYP1A2 (0.38) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL312017 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL311889 0.85 CYP1A2 (0.40) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL10215441 0.85 KDM4E (0.45) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL312363 0.84 CYP1A2 (0.37) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL311236 0.84 PLA2G7 (0.45) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL312303 0.83 TUBB4A (0.40) ALDH1A1HSD17B10KDM4EMEN1KMT2A

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