SCHEMBL7315691

SCHEMBL7315691

CCCCCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.69
CYP1A1 P04798 4/20 0.69
CYP1A2 P05177 4/20 0.69
IP6K2 Q9UHH9 3/20 0.69
ABCC1 P33527 2/20 0.69
XDH P47989 2/20 0.69
IPMK Q8NFU5 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
KDM1A O60341 1/20 0.69
MEN1 O00255 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 2/20 0.66
MAOA P21397 3/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59

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
Dimethylformamide SCHEMBL7317423 0.88 PLG (0.55) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL7317399 0.86 EGFR (0.52)
Diosmetin SCHEMBL30541886 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
Diosmetin SCHEMBL289337 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
Diosmetin SCHEMBL29453246 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
Diosmetin SCHEMBL29363916 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL30365934 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL29883103 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
SCHEMBL2483636 0.82 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1
Chrysoeriol SCHEMBL293757 0.80 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2IP6K2ABCC1

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-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