SCHEMBL8430989

SCHEMBL8430989

C=CCc1c(OCC2=COC(C)(C)O2)cc2oc(-c3ccc(OC)cc3)cc(=O)c2c1O.O=C1COC=CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.40
MAOB P27338 6/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KIT P10721 1/20 0.37
NFKB1 P19838 1/20 0.37
OPRD1 P41143 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
APP P05067 1/20 0.36
MAOA P21397 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNA5 P22460 2/20 0.36
KCNH2 Q12809 2/20 0.36
IP6K2 Q9UHH9 2/20 0.36

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
SCHEMBL8431329 0.90 ALDH1A1 (0.38) FLT3MAOBCYP19A1MAPTMEN1
SCHEMBL8306599 0.84 FLT3 (0.47) FLT3MAOBCYP19A1MAPTMEN1
SCHEMBL8306598 0.77 AKT1 (0.40) FLT3MAPTPOLBOPRD1APP
SCHEMBL8304396 0.76 MAOB (0.59) FLT3MAOBCYP19A1MAPTMEN1
SCHEMBL8309183 0.75 MAOB (0.51) FLT3MAOBCYP19A1MAPTMEN1
SCHEMBL8309111 0.74 ABCB1 (0.57) FLT3MAOBCYP19A1MAPTMEN1
SCHEMBL8429317 0.73 HPGD (0.56) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL8427197 0.73 PTGS1 (0.36) FLT3MAPTPOLBOPRD1ALDH1A1
SCHEMBL8308992 0.71 MAOB (0.39) FLT3MAOBMAPTMEN1KMT2A
SCHEMBL8310185 0.70 MAOB (0.41) FLT3MAOBMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed