SCHEMBL8429317

SCHEMBL8429317

C1=COC1.CCOC(=O)COc1cc(OCC2=COC(C)(C)O2)c2c(=O)cc(-c3ccc(OC)cc3)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCB1 P08183 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 7/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 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
SCHEMBL8429195 0.91 HPGD (0.56) HPGDKDM4EPOLBCYP2C9CYP2C19
SCHEMBL8309111 0.87 ABCB1 (0.57) HPGDKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL8427149 0.85 KDM4E (0.57) HPGDKDM4EPOLBCYP2C9CYP2C19
SCHEMBL8309183 0.84 MAOB (0.51) HPGDKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL8304396 0.83 MAOB (0.59) POLBCYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL8429312 0.83 POLB (0.52) HPGDKDM4EPOLBCYP2C9CYP2C19
SCHEMBL8429589 0.82 MAOB (0.62) HPGDKDM4EPOLBCYP2C9CYP2C19
SCHEMBL8431040 0.82 HPGD (0.62) HPGDKDM4EPOLBCYP2C9CYP2C19
SCHEMBL8431329 0.81 ALDH1A1 (0.38) HPGDKDM4EPOLBCYP2C9CYP2C19
SCHEMBL8431649 0.80 CYP1B1 (0.51) HPGDKDM4EPOLBCYP2C9CYP2C19

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-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed