SCHEMBL7310036

SCHEMBL7310036

COc1ccc(-c2cc(=O)c3c(O)cc(OCC(=O)N(C)C)cc3o2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.55
PPARG P37231 1/20 0.51
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
ABCC1 P33527 2/20 0.50
KDM1A O60341 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
IP6K2 Q9UHH9 2/20 0.50
XDH P47989 2/20 0.50
IPMK Q8NFU5 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 1/20 0.49
PDE4A P27815 1/20 0.48
PLG P00747 1/20 0.47
FLT3 P36888 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL7304881 0.94 CYP1B1 (0.53) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL8356014 0.92 CYP1B1 (0.53) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7307391 0.92 CYP1B1 (0.53) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7311118 0.91 CYP1B1 (0.57) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7316873 0.91 CYP1B1 (0.57) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7303645 0.91 CYP1B1 (0.57) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7306885 0.89 CYP1B1 (0.54) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7308871 0.89 CYP1B1 (0.56) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7306588 0.88 PPARG (0.57) CYP1B1PPARGCYP1A1CYP1A2ABCC1
SCHEMBL7313546 0.88 PPARG (0.57) CYP1B1PPARGCYP1A1CYP1A2ABCC1

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-0832886-B1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-11-13 EP claimed
US-5889003-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-30 US claimed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP claimed
EP-0832886-B1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-11-13 EP disclosed
US-5889003-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed
EP-0832886-A1 Flavon derivatives, process for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-01 EP disclosed