SCHEMBL8429201

SCHEMBL8429201

C=CCc1c(-c2cc(=O)c3c(O)cc(OCC(=O)OCC)cc3o2)ccc(OC)c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
EGFR P00533 11/20 0.49
KDM5A P29375 1/20 0.49
PPARG P37231 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RET P07949 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL8427244 0.93 POLB (0.60) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8427202 0.90 KDM4E (0.54) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8429592 0.90 XDH (0.52) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8308046 0.87 MAOB (0.52) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL8429193 0.86 POLB (0.48) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8309333 0.84 CYP1B1 (0.57) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL8305036 0.84 MAPT (0.59) CYP1A2CYP3A4CYP2C9CYP2C19EGFR
SCHEMBL8427570 0.83 HPGD (0.64) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8427185 0.83 POLB (0.47) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8305322 0.83 CYP1B1 (0.43) KDM4EALDH1A1CYP1A2POLBCYP3A4

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