SCHEMBL5798008

SCHEMBL5798008

O=C1C(=C2C=CC(O)=CC2)COc2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.47
MAOB P27338 5/20 0.41
MAOA P21397 4/20 0.41
ESR2 Q92731 4/20 0.39
ESR1 P03372 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TYR P14679 3/20 0.35
CISD1 Q9NZ45 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP19A1 P11511 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
YES1 P07947 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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
SCHEMBL3513089 0.76 MAOA (0.41) MIFMAOBMAOAMAPTRAB9A
SCHEMBL6208215 0.71 ESR2 (0.58) MIFMAOBMAOAESR2ESR1
SCHEMBL29409544 0.68 MAOB (0.68) MIFMAOBMAOAESR2ESR1
SCHEMBL563933 0.68 MAOB (0.68) MIFMAOBMAOAESR2ESR1
SCHEMBL26777075 0.64 MAOB (0.57) MIFMAOBMAOAESR2ESR1
SCHEMBL29837280 0.64 MIF (1.00) MIFMAOBMAOAALDH1A1MAPT
SCHEMBL16847161 0.63 ESR1 (0.50) MIFMAOBMAOAESR2ESR1
SCHEMBL21780835 0.63 MAOA (0.60) MIFMAOBMAOAESR2ESR1
SCHEMBL12254998 0.63 ESR2 (0.47) MIFMAOBMAOAESR2ESR1
SCHEMBL6984812 0.63 MAOA (0.57) MAOBMAOAESR2ESR1MAPT

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
WO-2006031007-A1 NOVEL MICROORGANISM CAPABLE OF METABOLIZING DIHYDRODAIDZEIN TO EQUOL SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2006-03-23 WO claimed
WO-2006031007-A1 NOVEL MICROORGANISM CAPABLE OF METABOLIZING DIHYDRODAIDZEIN TO EQUOL SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2006-03-23 WO disclosed