SCHEMBL8306985

SCHEMBL8306985

CCCc1c(-c2cc(=O)c3c(OC)cc(OCC(O)CO)cc3o2)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.47
BRD2 P25440 4/20 0.47
BRD3 Q15059 4/20 0.47
BRDT Q58F21 4/20 0.47
ABCB1 P08183 2/20 0.44
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
QPCT Q16769 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
SCHEMBL8309780 0.91 BRD4 (0.46) BRD4BRD2BRD3BRDTABCB1
SCHEMBL8431088 0.89 HPGD (0.43) BRD4BRD2BRD3BRDTMAOB
SCHEMBL8308340 0.89 BRD4 (0.43) BRD4BRD2BRD3BRDTABCB1
SCHEMBL8429282 0.85 XDH (0.45) QPCT
SCHEMBL4574734 0.85 CYP1B1 (0.46) ABCB1MAOBMAOAMEN1NPC1
SCHEMBL4575066 0.85 CYP1B1 (0.46) ABCB1MAOBMAOAMEN1NPC1
SCHEMBL4575775 0.85 CYP1B1 (0.46) ABCB1MAOBMAOAMEN1NPC1
SCHEMBL8859603 0.83 BRD4 (0.39) BRD4BRD2BRD3BRDTMAOB
SCHEMBL8859601 0.83 BRD4 (0.39) BRD4BRD2BRD3BRDTMAOB
SCHEMBL8309779 0.81 ABCB1 (0.56) BRD4BRD2BRD3BRDTABCB1

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