SCHEMBL8306992

SCHEMBL8306992

CCCc1c(-c2cc(=O)c3c(O)cc(OC[C@H](O)COC(C)=O)cc3o2)ccc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
EGFR P00533 11/20 0.43
CYP1B1 Q16678 2/20 0.43
KDM1A O60341 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
ABCC1 P33527 1/20 0.43
XDH P47989 1/20 0.43
IPMK Q8NFU5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
TOP2A P11388 2/20 0.42
AKR1B1 P15121 1/20 0.42
MAOA P21397 1/20 0.42
MAPK8 P45983 1/20 0.42

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
SCHEMBL4575953 1.00 PPARG (0.43) PPARGEGFRCYP1B1KDM1ACYP1A1
SCHEMBL4575957 1.00 PPARG (0.43) PPARGEGFRCYP1B1KDM1ACYP1A1
SCHEMBL4575775 0.90 CYP1B1 (0.46) PPARGEGFRCYP1B1KDM1ACYP1A1
SCHEMBL4575066 0.90 CYP1B1 (0.46) PPARGEGFRCYP1B1KDM1ACYP1A1
SCHEMBL4574734 0.90 CYP1B1 (0.46) PPARGEGFRCYP1B1KDM1ACYP1A1
SCHEMBL8305425 0.84 MAOB (0.53) EGFRCYP1B1KDM1ACYP1A1CYP1A2
SCHEMBL8309780 0.84 BRD4 (0.46) TOP2AMAOA
SCHEMBL8427180 0.84 XDH (0.55) PPARGEGFRXDHRETKDR
SCHEMBL8308340 0.83 BRD4 (0.43) CYP1A2TOP2AMAOA
SCHEMBL8427202 0.83 KDM4E (0.54) PPARGEGFRCYP1A2RETKDR

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