SCHEMBL8429583

SCHEMBL8429583

CCOC(=O)COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(O)c3)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP1A1 P04798 2/20 0.67
KDM1A O60341 1/20 0.67
ABCC1 P33527 1/20 0.67
XDH P47989 1/20 0.67
IPMK Q8NFU5 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
IP6K2 Q9UHH9 1/20 0.67
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDM5A P29375 1/20 0.59
EGFR P00533 10/20 0.58
PLG P00747 1/20 0.57

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
SCHEMBL4393314 0.94 CYP1B1 (0.67) CYP1B1CYP1A2CYP1A1KDM1AABCC1
SCHEMBL10472448 0.93 CYP1A2 (0.63) CYP1B1CYP1A2CYP1A1KDM1AABCC1
SCHEMBL8429540 0.90 EGFR (0.59) CYP1B1CYP1A2KDM4EALDH1A1POLB
SCHEMBL24183777 0.88 KDM4E (0.69) CYP1A2XDHIP6K2KDM4EALDH1A1
SCHEMBL8429585 0.88 CYP1B1 (0.56) CYP1B1CYP1A2CYP1A1ABCC1KDM4E
SCHEMBL10473384 0.87 CYP1B1 (0.72) CYP1B1CYP1A2CYP1A1KDM1AABCC1
SCHEMBL8431160 0.87 ALDH1A1 (0.56) CYP1B1CYP1A2CYP1A1ABCC1KDM4E
SCHEMBL7306885 0.86 CYP1B1 (0.54) CYP1B1CYP1A2CYP1A1KDM1AABCC1
SCHEMBL4397722 0.86 KDM4E (0.70) CYP1B1CYP1A2CYP1A1HDAC6KDM4E
SCHEMBL8427276 0.86 CYP1B1 (0.56) CYP1B1CYP1A2CYP1A1KDM1AABCC1

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