SCHEMBL7305779

SCHEMBL7305779

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.56
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
KCNH2 Q12809 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
ABCC1 P33527 2/20 0.51
KDM1A O60341 2/20 0.51
IP6K2 Q9UHH9 2/20 0.51
XDH P47989 1/20 0.51
IPMK Q8NFU5 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL7306671 0.90 CYP1B1 (0.57) CYP1B1HDAC6CYP1A1CYP1A2ABCC1
Iodide SCHEMBL8440780 0.89 CYP1B1 (0.56) CYP1B1HDAC6CYP1A1CYP1A2ABCC1
SCHEMBL7310036 0.87 CYP1B1 (0.55) CYP1B1HDAC6CYP1A1CYP1A2ABCC1
SCHEMBL7313359 0.87 CYP1B1 (0.55) CYP1B1HDAC6CYP1A1CYP1A2ABCC1
SCHEMBL7316873 0.86 CYP1B1 (0.57) CYP1B1HDAC6CYP1A1CYP1A2ABCC1
SCHEMBL7303645 0.86 CYP1B1 (0.57) CYP1B1HDAC6KCNH2CYP1A1CYP1A2
SCHEMBL7311118 0.86 CYP1B1 (0.57) CYP1B1HDAC6KCNH2CYP1A1CYP1A2
SCHEMBL7304881 0.86 CYP1B1 (0.53) CYP1B1HDAC6CYP1A1CYP1A2ABCC1
SCHEMBL7306024 0.86 CYP1B1 (0.76) CYP1B1HDAC6KCNH2CYP1A1CYP1A2
SCHEMBL7306096 0.85 CYP1B1 (0.56) CYP1B1HDAC6KCNH2CYP1A1CYP1A2

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