SCHEMBL8305425

SCHEMBL8305425

CCCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(O)c3CCC)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
MAOA P21397 4/20 0.53
CYP1B1 Q16678 3/20 0.50
IP6K2 Q9UHH9 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
ABCC1 P33527 2/20 0.50
KDM1A O60341 1/20 0.50
XDH P47989 1/20 0.50
IPMK Q8NFU5 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
EGFR P00533 1/20 0.50
RET P07949 1/20 0.50
KDR P35968 1/20 0.50
AKR1B1 P15121 1/20 0.49
MAPK8 P45983 1/20 0.49
FLT3 P36888 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP19A1 P11511 1/20 0.48
QPCT Q16769 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
SCHEMBL8427180 0.90 XDH (0.55) XDHEGFRRETKDR
SCHEMBL8306763 0.89 CYP1B1 (0.60) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL4575066 0.87 CYP1B1 (0.46) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL4575775 0.87 CYP1B1 (0.46) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL4574734 0.87 CYP1B1 (0.46) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8427202 0.87 KDM4E (0.54) CYP1A2EGFRRETKDRMAPT
SCHEMBL4575957 0.84 PPARG (0.43) MAOACYP1B1IP6K2CYP1A1CYP1A2
SCHEMBL8306914 0.84 CYP1B1 (0.43) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL4575953 0.84 PPARG (0.43) MAOACYP1B1IP6K2CYP1A1CYP1A2
SCHEMBL8306992 0.84 PPARG (0.43) MAOACYP1B1IP6K2CYP1A1CYP1A2

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