SCHEMBL8305537

SCHEMBL8305537

C=CCOc1cc(-c2cc(=O)c3c(OCC4=COC(C)(C)O4)cc(OCC4=COC(C)(C)O4)cc3o2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
MAOA P21397 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
CYP1B1 Q16678 4/20 0.43
ABCB1 P08183 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
PPARG P37231 2/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ABCC1 P33527 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
OPRD1 P41143 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8309181 0.99 MAOB (0.51) MAOBMAOAL3MBTL1CYP1B1ABCB1
SCHEMBL8309109 0.97 MAOB (0.54) MAOBMAOAL3MBTL1CYP1B1ABCB1
SCHEMBL8309100 0.94 L3MBTL1 (0.49) MAOBMAOAL3MBTL1CYP1B1ABCB1
SCHEMBL8304325 0.93 CYP1B1 (0.54) MAOBMAOACYP1B1MEN1KMT2A
SCHEMBL8429312 0.90 POLB (0.52) MAOBMAOACYP1B1PPARGCYP1A2
SCHEMBL8309092 0.90 ABCB1 (0.52) MAOBMAOAL3MBTL1CYP1B1ABCB1
SCHEMBL8305144 0.88 L3MBTL1 (0.60) L3MBTL1CYP1B1ABCB1MEN1KMT2A
SCHEMBL8305061 0.87 CYP1B1 (0.59) MAOBMAOACYP1B1MEN1KMT2A
SCHEMBL8309259 0.86 CYP1B1 (0.56) L3MBTL1CYP1B1ABCB1MEN1KMT2A
SCHEMBL8309183 0.86 MAOB (0.51) MAOBMAOAL3MBTL1CYP1B1ABCB1

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