SCHEMBL8307616

SCHEMBL8307616

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.58
CYP1B1 Q16678 3/20 0.58
KDM1A O60341 1/20 0.58
CYP1A2 P05177 1/20 0.58
ABCC1 P33527 1/20 0.58
XDH P47989 1/20 0.58
IPMK Q8NFU5 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
IP6K2 Q9UHH9 1/20 0.58
BCL2 P10415 1/20 0.57
TERT O14746 1/20 0.56
AKT1 P31749 1/20 0.54
DYRK1A Q13627 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
APP P05067 1/20 0.54
AURKA O14965 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
AURKB Q96GD4 1/20 0.54
PARP1 P09874 1/20 0.52

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
SCHEMBL7379704 0.91 DYRK1A (0.64) CYP1A1CYP1B1CYP1A2ABCC1BCL2
SCHEMBL8574988 0.86 DYRK1A (0.50) CYP1B1KDM1ABCL2TERTAKT1
SCHEMBL8308207 0.85 AKT1 (0.61) CYP1A1CYP1B1KDM1ACYP1A2ABCC1
SCHEMBL8305241 0.84 KDM4E (0.52) CYP1A1CYP1B1KDM1ACYP1A2BCL2
SCHEMBL8429610 0.84 DYRK1A (0.48) CYP1B1CYP1A2BCL2TERTAKT1
SCHEMBL5163188 0.83 TERT (0.70) CYP1A1CYP1B1KDM1ACYP1A2ABCC1
SCHEMBL8304917 0.83 CYP1A1 (0.67) CYP1A1CYP1B1KDM1ACYP1A2ABCC1
SCHEMBL8305238 0.81 AKT1 (0.52) BCL2AKT1DYRK1ADYRK1BPARP1
SCHEMBL3173373 0.81 CYP1B1 (0.54) CYP1A1CYP1B1CYP1A2HDAC6BCL2
SCHEMBL16894632 0.80 ACHE (0.76) CYP1A1CYP1B1KDM1ACYP1A2ABCC1

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-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 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