SCHEMBL8304313

SCHEMBL8304313

COc1ccc(-c2cc(=O)c3c(O)cc(OCC4=COC(C)(C)O4)cc3o2)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ABCB1 P08183 2/20 0.58
CYP1B1 Q16678 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
PPARG P37231 2/20 0.50
CYP1A1 P04798 3/20 0.49
CYP1A2 P05177 3/20 0.49
ABCC1 P33527 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
IP6K2 Q9UHH9 2/20 0.48
KDM1A O60341 1/20 0.48
XDH P47989 1/20 0.48
IPMK Q8NFU5 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.48
RET P07949 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL8308203 1.00 MAPT (0.58) MAPTABCB1CYP1B1L3MBTL1PPARG
SCHEMBL8305061 0.94 CYP1B1 (0.59) MAPTCYP1B1PPARGCYP1A1CYP1A2
SCHEMBL8305144 0.94 L3MBTL1 (0.60) MAPTABCB1CYP1B1L3MBTL1PPARG
SCHEMBL8306264 0.92 CYP1B1 (0.63) MAPTABCB1CYP1B1PPARGCYP1A1
SCHEMBL8309397 0.89 CYP1B1 (0.68) MAPTABCB1CYP1B1CYP1A1CYP1A2
SCHEMBL8310354 0.89 CYP1B1 (0.55) MAPTCYP1B1CYP1A1CYP1A2ABCC1
SCHEMBL8304422 0.88 CYP1B1 (0.63) MAPTABCB1CYP1B1CYP1A1CYP1A2
SCHEMBL8304325 0.88 CYP1B1 (0.54) MAPTCYP1B1PPARGCYP1A1CYP1A2
SCHEMBL8309100 0.87 L3MBTL1 (0.49) MAPTABCB1CYP1B1L3MBTL1CYP1A1
SCHEMBL8431649 0.85 CYP1B1 (0.51) MAPTCYP1B1PPARGCYP1A1CYP1A2

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