SCHEMBL8304422

SCHEMBL8304422

COc1ccc(-c2cc(=O)c3c(O)cc(OCC4=COC(C)(C)O4)cc3o2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.63
CYP1A1 P04798 5/20 0.63
CYP1A2 P05177 3/20 0.63
KDM1A O60341 3/20 0.63
ABCC1 P33527 3/20 0.63
IP6K2 Q9UHH9 3/20 0.63
XDH P47989 2/20 0.63
IPMK Q8NFU5 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
PLG P00747 1/20 0.54
FLT3 P36888 3/20 0.53
AURKA O14965 1/20 0.53
KDR P35968 1/20 0.53
AURKB Q96GD4 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
MAOB P27338 2/20 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
SCHEMBL8309259 0.95 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8306264 0.94 CYP1B1 (0.63) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8305061 0.94 CYP1B1 (0.59) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8310354 0.90 CYP1B1 (0.55) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8304325 0.89 CYP1B1 (0.54) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8308203 0.88 MAPT (0.58) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8304313 0.88 MAPT (0.58) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8309397 0.88 CYP1B1 (0.68) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8309009 0.87 CYP1B1 (0.52) CYP1B1CYP1A1CYP1A2KDM1AABCC1
SCHEMBL8309125 0.87 CYP1B1 (0.52) CYP1B1CYP1A1CYP1A2KDM1AABCC1

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-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP disclosed
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
US-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed