SCHEMBL8306215

SCHEMBL8306215

COC(=O)C1OC(Oc2cc(-c3cc(=O)c4c(O)cc(OCC5=COC(C)(C)O5)cc4o3)ccc2OC)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1B1 Q16678 3/20 0.43
KDM1A O60341 3/20 0.43
PPARG P37231 1/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
ABCC1 P33527 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 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
SCHEMBL8306216 0.89 CYP3A4 (0.39) EPHX2MEN1KMT2ACYP3A4MAPT
SCHEMBL8309192 0.83 CYP3A4 (0.39) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8306264 0.82 CYP1B1 (0.63) EPHX2MEN1KMT2ACYP3A4MAPT
SCHEMBL8305061 0.81 CYP1B1 (0.59) EPHX2MEN1KMT2ACYP3A4MAPT
SCHEMBL8304422 0.79 CYP1B1 (0.63) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL8310354 0.78 CYP1B1 (0.55) MEN1KMT2AMAPTCYP1B1KDM1A
SCHEMBL8309009 0.78 CYP1B1 (0.52) EPHX2MEN1KMT2ACYP3A4MAPT
SCHEMBL8309125 0.78 CYP1B1 (0.52) EPHX2MEN1KMT2ACYP3A4MAPT
SCHEMBL8304325 0.77 CYP1B1 (0.54) EPHX2MEN1KMT2ACYP3A4MAPT
SCHEMBL8309397 0.77 CYP1B1 (0.68) MEN1KMT2ACYP3A4MAPTKDM4E

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