SCHEMBL8306216

SCHEMBL8306216

COC(=O)C1OC(Oc2cc(OC)ccc2-c2cc(=O)c3c(O)cc(OCC4=COC(C)(C)O4)cc3o2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
EPHX2 P34913 1/20 0.37
MAOB P27338 2/20 0.36
CYP19A1 P11511 1/20 0.36
ABL1 P00519 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
KDM1A O60341 1/20 0.35
FLT3 P36888 2/20 0.35
IP6K2 Q9UHH9 2/20 0.35

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
SCHEMBL8306215 0.89 EPHX2 (0.45) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8309192 0.84 CYP3A4 (0.39) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8306914 0.71 CYP1B1 (0.43) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8306264 0.71 CYP1B1 (0.63) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8304422 0.71 CYP1B1 (0.63) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8575611 0.71 QPCT (0.45) CYP3A4MEN1KMT2AMAPTMAOB
SCHEMBL8304396 0.70 MAOB (0.59) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8305061 0.70 CYP1B1 (0.59) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8306988 0.70 CYP1B1 (0.42) CYP3A4MEN1KMT2AUSP2LMNA
SCHEMBL8304673 0.68 BRD4 (0.40) CYP3A4MEN1KMT2AMAPTKDM4E

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