SCHEMBL8427149

SCHEMBL8427149

CCOC(=O)COc1cc(-c2cc(=O)c3c(OCC(=O)OCC)cc(OCC4=COC(C)(C)O4)cc3o2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.57
CYP2C9 P11712 2/20 0.57
HPGD P15428 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1B1 Q16678 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ABCB1 P08183 2/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 1/20 0.41
OPRD1 P41143 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL8431649 0.95 CYP1B1 (0.51) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8429312 0.92 POLB (0.52) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8309100 0.89 L3MBTL1 (0.49) KDM4EPOLBALDH1A1CYP1A2CYP3A4
SCHEMBL8431003 0.88 POLB (0.52) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8309092 0.87 ABCB1 (0.52) KDM4EHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL8427187 0.87 KDM4E (0.74) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8431005 0.86 HPGD (0.50) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8429317 0.85 HPGD (0.56) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8429195 0.85 HPGD (0.56) KDM4EPOLBCYP2C9HPGDCYP2C19
SCHEMBL8309181 0.85 MAOB (0.51) KDM4EPOLBALDH1A1CYP1A2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed