SCHEMBL8306598

SCHEMBL8306598

C=CCc1c(-c2cc(=O)c3c(O)c(CC=C)c(OCC4=COC(C)(C)O4)cc3o2)ccc(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 1/20 0.38
OPRD1 P41143 1/20 0.38
FLT3 P36888 2/20 0.37
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
SOAT2 O75908 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
POLH Q9Y253 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL8308992 0.91 MAOB (0.39) AKT1KDM4EPOLBMAPTADORA3
SCHEMBL8306988 0.90 CYP1B1 (0.42) POLBMAPTCYP1A1CYP1B1CYP1A2
SCHEMBL8310185 0.90 MAOB (0.41) AKT1KDM4EPOLBMAPTADORA3
SCHEMBL8309735 0.89 KDM4E (0.39) AKT1KDM4EPOLBMAPTADORA3
SCHEMBL8427197 0.87 PTGS1 (0.36) AKT1PTGS1PTGS2KDM4EPOLB
SCHEMBL8574602 0.86 PTGS1 (0.34) AKT1PTGS1PTGS2KDM4EPOLB
SCHEMBL8429193 0.84 POLB (0.48) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL8306599 0.83 FLT3 (0.47) KDM4EPOLBMAPTADORA3CYP1A1
SCHEMBL8431327 0.82 KDM4E (0.38) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL8307482 0.81 AKT1 (0.56) AKT1PTGS1PTGS2POLBMAPT

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