SCHEMBL8304506

SCHEMBL8304506

C=CCOc1cc(-c2cc(=O)c3c(OCC=C)c(CC=C)c(OCC=C)cc3o2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ABCB1 P08183 3/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
TP53 P04637 1/20 0.57
MDM2 Q00987 1/20 0.57
MAOB P27338 4/20 0.55
MAOA P21397 1/20 0.55
CYP1B1 Q16678 5/20 0.53
CYP1A1 P04798 4/20 0.53
CYP1A2 P05177 2/20 0.53
OPRD1 P41143 1/20 0.53
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
HDAC6 Q9UBN7 1/20 0.50
HSD17B2 P37059 1/20 0.47
TAS2R31 P59538 1/20 0.47
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL8305990 0.84 MAOB (0.66) MEN1KMT2AABCB1ABCG2TP53
SCHEMBL8304510 0.84 MAOB (0.57) MEN1KMT2AABCB1TP53MAOB
SCHEMBL8304767 0.82 CYP1B1 (0.76) MEN1KMT2AABCB1ABCG2TP53
SCHEMBL8304836 0.82 CYP1B1 (0.66) MEN1KMT2ATP53MAOBMAOA
SCHEMBL8429084 0.77 CYP1B1 (0.59) MEN1KMT2AMAOBMAOACYP1B1
SCHEMBL8431089 0.76 HDAC6 (0.56) MEN1KMT2AABCB1ABCG2TP53
SCHEMBL8306488 0.76 MAPT (0.64) MEN1KMT2AABCB1ABCG2MAOB
SCHEMBL4575969 0.76 MAOB (0.54) MEN1KMT2AABCB1ABCG2TP53
SCHEMBL8429151 0.75 KDM4E (0.65) MEN1KMT2AABCB1ABCG2TP53
SCHEMBL8431038 0.75 KDM4E (0.62) MEN1KMT2AABCB1ABCG2TP53

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