SCHEMBL8306914

SCHEMBL8306914

CCCc1c(-c2cc(=O)c3c(O)cc(OCC4=COC(C)(C)O4)cc3o2)ccc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.43
IP6K2 Q9UHH9 3/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
ABCC1 P33527 2/20 0.43
KDM1A O60341 1/20 0.43
XDH P47989 1/20 0.43
IPMK Q8NFU5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EGFR P00533 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
MAOA P21397 2/20 0.42
AKR1B1 P15121 1/20 0.42
MAPK8 P45983 1/20 0.42
PPARG P37231 1/20 0.41
FLT3 P36888 2/20 0.41
MAOB P27338 2/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL8304673 0.95 BRD4 (0.40) CYP1B1IP6K2CYP1A1CYP1A2ABCC1
SCHEMBL8307532 0.94 L3MBTL1 (0.39) CYP1B1IP6K2CYP1A1CYP1A2ABCC1
SCHEMBL8306988 0.90 CYP1B1 (0.42) CYP1B1IP6K2CYP1A1CYP1A2ABCC1
SCHEMBL8309735 0.89 KDM4E (0.39) CYP1B1CYP1A1CYP1A2KDRFLT3
SCHEMBL8307688 0.89 MAPT (0.35) MAOAPPARGMAOBMAPTMEN1
SCHEMBL8427269 0.87 EGFR (0.43) CYP1A2EGFRRETKDRPPARG
SCHEMBL8306597 0.86 ABCB1 (0.42) MAOAPPARGMAOBQPCTABCB1
SCHEMBL8310185 0.85 MAOB (0.41) CYP1B1IP6K2CYP1A1CYP1A2ABCC1
SCHEMBL8572731 0.85 QPCT (0.38) CYP1B1IP6K2CYP1A1CYP1A2ABCC1
SCHEMBL8308992 0.85 MAOB (0.39) CYP1B1IP6K2CYP1A1CYP1A2ABCC1

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 6 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
EP-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 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