SCHEMBL8309779

SCHEMBL8309779

COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(O)CO)cc3o2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ABCG2 Q9UNQ0 3/20 0.56
TP53 P04637 1/20 0.56
MDM2 Q00987 1/20 0.56
CYP1B1 Q16678 2/20 0.55
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
OPRD1 P41143 1/20 0.54
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
HDAC6 Q9UBN7 1/20 0.53
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
BRD4 O60885 6/20 0.51
BRD2 P25440 4/20 0.50
BRD3 Q15059 4/20 0.50

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
SCHEMBL8306291 0.92 CYP1B1 (0.68) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL4575095 0.89 CYP1B1 (0.58) ABCB1CYP1B1CYP1A1CYP1A2MAOB
SCHEMBL4574696 0.89 CYP1B1 (0.64) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL4575969 0.89 MAOB (0.54) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL17185518 0.88 ABCB1 (0.69) ABCB1MEN1KMT2AABCG2MAOB
SCHEMBL7603349 0.86 BRD4 (0.64) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL4575622 0.86 CYP1B1 (0.68) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL8304881 0.86 CYP1B1 (0.68) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL4575616 0.86 CYP1B1 (0.68) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL8305042 0.85 CYP1B1 (0.58) MEN1KMT2ACYP1B1CYP1A1CYP1A2

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