SCHEMBL8309092

SCHEMBL8309092

COc1ccc(-c2cc(=O)c3c(OC)cc(OCC4=COC(C)(C)O4)cc3o2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.52
ABCG2 Q9UNQ0 3/20 0.52
CYP1B1 Q16678 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 1/20 0.52
MDM2 Q00987 1/20 0.52
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
OPRD1 P41143 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLH Q9Y253 1/20 0.47
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL8309100 0.95 L3MBTL1 (0.49) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8306264 0.93 CYP1B1 (0.63) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8309109 0.92 MAOB (0.54) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8309181 0.90 MAOB (0.51) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8305061 0.90 CYP1B1 (0.59) CYP1B1MEN1KMT2ATP53CYP1A1
SCHEMBL8305144 0.90 L3MBTL1 (0.60) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8305537 0.90 MAOB (0.51) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8309259 0.89 CYP1B1 (0.56) ABCB1CYP1B1MEN1KMT2ACYP1A1
SCHEMBL8304422 0.87 CYP1B1 (0.63) ABCB1ABCG2CYP1B1MEN1KMT2A
SCHEMBL8427149 0.87 KDM4E (0.57) ABCB1ABCG2CYP1B1MEN1KMT2A

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