SCHEMBL8429610

SCHEMBL8429610

CCCc1c(O)cc(O)c2c(=O)cc(-c3ccc(OC)c(OCC(=O)OCC)c3)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
CYP1B1 Q16678 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PARP1 P09874 2/20 0.46
PARP2 Q9UGN5 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
ELANE P08246 1/20 0.46
APP P05067 1/20 0.45
BCL2 P10415 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
SCHEMBL8574988 0.90 DYRK1A (0.50) DYRK1ADYRK1BCYP1B1ALDH1A1CYP3A4
SCHEMBL8431822 0.89 ALDH1A1 (0.50) CYP1B1ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL8427304 0.89 DYRK1A (0.52) DYRK1ADYRK1BCYP1B1ALDH1A1CYP3A4
SCHEMBL8570785 0.87 HDAC6 (0.56) CYP1B1ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL8307616 0.84 CYP1A1 (0.58) DYRK1ADYRK1BCYP1B1KDM4ECYP1A2
SCHEMBL7379704 0.84 DYRK1A (0.64) DYRK1ADYRK1BCYP1B1ALDH1A1KDM4E
SCHEMBL10472448 0.81 CYP1A2 (0.63) CYP1B1ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL10473384 0.81 CYP1B1 (0.72) CYP1B1ALDH1A1CYP3A4KDM4EHPGD
SCHEMBL8431081 0.80 ALDH1A1 (0.48) DYRK1ADYRK1BCYP1B1ALDH1A1CYP3A4
SCHEMBL8429609 0.79 ALDH1A1 (0.53) CYP1B1ALDH1A1CYP3A4KDM4EHPGD

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