SCHEMBL8427205

SCHEMBL8427205

CCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)O)cc3o2)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.61
XDH P47989 2/20 0.61
PPARG P37231 1/20 0.59
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
ABCC1 P33527 2/20 0.56
KDM1A O60341 1/20 0.56
IPMK Q8NFU5 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
IP6K2 Q9UHH9 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
EGFR P00533 10/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL7605191 0.92 CYP1B1 (0.72) CYP1B1XDHPPARGCYP1A1CYP1A2
SCHEMBL8429540 0.90 EGFR (0.59) CYP1B1PPARGCYP1A2ALDH1A1POLB
SCHEMBL10474033 0.87 CYP1B1 (0.78) CYP1B1XDHPPARGCYP1A1CYP1A2
SCHEMBL8429084 0.87 CYP1B1 (0.59) CYP1B1XDHPPARGCYP1A1CYP1A2
SCHEMBL2904346 0.87 XDH (0.72) CYP1B1XDHPPARGMAPTEGFR
SCHEMBL7609527 0.86 KDM4E (0.53) CYP1B1CYP1A2MEN1ALDH1A1POLB
SCHEMBL8427265 0.85 KDM4E (0.59) CYP1B1XDHPPARGCYP1A1CYP1A2
SCHEMBL7310271 0.85 EGFR (0.57) CYP1B1EGFR
SCHEMBL8305042 0.84 CYP1B1 (0.58) CYP1B1XDHCYP1A1CYP1A2ABCC1
Recoflavone SCHEMBL29406117 0.84 ABCB1 (0.59) CYP1B1XDHPPARGCYP1A1CYP1A2

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